N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]butanamide; sulfurous acid

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]butanamide; sulfurous acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-4-[1-(2-naphthylsulfonylamino)cyclohexyl]butanamide; sulfurous acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-[1-(2-naphthalenylsulfonylamino)cyclohexyl]butanamide; sulfurous acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(naphthalen-2-ylsulfonylamino)cyclohexyl]butanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-[1-(2-naphthylsulfonylamino)cyclohexyl]butyramide; sulfurous acid Formula: C27H41N5O6S2 MolecularWeight: 595.77434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCCC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

C1CCC(CC1)(CCCC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C27H39N5O3S.H2O3S/c28-26(29)32-17-7-8-21(20-32)19-30-25(33)11-6-16-27(14-4-1-5-15-27)31-36(34,35)24-13-12-22-9-2-3-10-23(22)18-24;1-4(2)3/h2-3,9-10,12-13,18,21,31H,1,4-8,11,14-17,19-20H2,(H3,28,29)(H,30,33);(H2,1,2,3)