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

Systemtic Name: 4-(azepan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: 4-(azepan-1-yl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(2-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(2-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: 4-(azepan-1-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(azepan-1-yl)-4-keto-3-(2-naphthylsulfonylamino)butyramide Formula: C27H38N6O4S MolecularWeight: 542.69342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H38N6O4S/c28-27(29)33-15-7-8-20(19-33)18-30-25(34)17-24(26(35)32-13-5-1-2-6-14-32)31-38(36,37)23-12-11-21-9-3-4-10-22(21)16-23/h3-4,9-12,16,20,24,31H,1-2,5-8,13-15,17-19H2,(H3,28,29)(H,30,34)