N-[3-[2-(1-carbamimidoyl-3-piperidin-3-yl-naphthalen-2-yl)sulfonyl-2-methyl-hydrazinyl]-3-oxidanylidene-propyl]-2-oxidanylidene-2-phenyl-ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[3-[2-(1-carbamimidoyl-3-piperidin-3-yl-naphthalen-2-yl)sulfonyl-2-methyl-hydrazinyl]-3-oxidanylidene-propyl]-2-oxidanylidene-2-phenyl-ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-[3-[2-[[1-carbamimidoyl-3-(3-piperidyl)-2-naphthyl]sulfonyl]-2-methyl-hydrazino]-3-oxo-propyl]-2-oxo-2-phenyl-acetamide; 4-methylbenzenesulfonic acid CAS Name: N-[3-[2-[[1-carbamimidoyl-3-(3-piperidinyl)-2-naphthalenyl]sulfonyl]-2-methylhydrazinyl]-3-oxopropyl]-2-oxo-2-phenylacetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[3-[2-(1-carbamimidoyl-3-piperidin-3-ylnaphthalen-2-yl)sulfonyl-2-methylhydrazinyl]-3-oxopropyl]-2-oxo-2-phenylacetamide; 4-methylbenzenesulfonic acid Traditional Name: N-[3-[N'-[[1-amidino-3-(3-piperidyl)-2-naphthyl]sulfonyl]-N'-methyl-hydrazino]-3-keto-propyl]-2-keto-2-phenyl-acetamide; tosylic acid Formula: C35H40N6O8S2 MolecularWeight: 736.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(NC(=O)CCNC(=O)C(=O)C1=CC=CC=C1)S(=O)(=O)C2=C(C3=CC=CC=C3C=C2C4CCCNC4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(NC(=O)CCNC(=O)C(=O)C1=CC=CC=C1)S(=O)(=O)C2=C(C3=CC=CC=C3C=C2C4CCCNC4)C(=N)N

InChI

InChI=1S/C28H32N6O5S.C7H8O3S/c1-34(33-23(35)13-15-32-28(37)25(36)18-8-3-2-4-9-18)40(38,39)26-22(20-11-7-14-31-17-20)16-19-10-5-6-12-21(19)24(26)27(29)30;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8-10,12,16,20,31H,7,11,13-15,17H2,1H3,(H3,29,30)(H,32,37)(H,33,35);2-5H,1H3,(H,8,9,10)