N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azocan-1-yl]butanamide

Systemtic Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azocan-1-yl]butanamide Openeye Name: N-(1-carbamimidoyl-3-piperidyl)-N-methyl-4-[3-(2-naphthylsulfonylamino)-2-oxo-azocan-1-yl]butanamide CAS Name: N-(1-carbamimidoyl-3-piperidinyl)-N-methyl-4-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-azocanyl]butanamide IUPAC Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxoazocan-1-yl]butanamide Traditional Name: N-(1-amidino-3-piperidyl)-4-[2-keto-3-(2-naphthylsulfonylamino)azocan-1-yl]-N-methyl-butyramide Formula: C28H40N6O4S MolecularWeight: 556.72

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)CCCN2CCCCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)CCCN2CCCCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H40N6O4S/c1-32(23-11-7-18-34(20-23)28(29)30)26(35)13-8-17-33-16-6-2-3-12-25(27(33)36)31-39(37,38)24-15-14-21-9-4-5-10-22(21)19-24/h4-5,9-10,14-15,19,23,25,31H,2-3,6-8,11-13,16-18,20H2,1H3,(H3,29,30)