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

Systemtic Name: 4-(2-aminophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-1-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: 4-(2-aminophenyl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(1-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: 4-(2-aminophenyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(1-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: 4-(2-aminophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(2-aminophenyl)-4-keto-2-(1-naphthylsulfonylamino)butyramide Formula: C27H32N6O4S MolecularWeight: 536.64578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H32N6O4S/c28-22-12-4-3-11-21(22)24(34)15-23(26(35)31-16-18-7-6-14-33(17-18)27(29)30)32-38(36,37)25-13-5-9-19-8-1-2-10-20(19)25/h1-5,8-13,18,23,32H,6-7,14-17,28H2,(H3,29,30)(H,31,35)