N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]-2-oxidanyl-benzamide; ethanoic acid

Systemtic Name: N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]-2-oxidanyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(2-naphthylsulfonylamino)methyl]-2-oxo-ethyl]-2-hydroxy-benzamide CAS Name: acetic acid; N-[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(2-naphthalenylsulfonylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide IUPAC Name: acetic acid; N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide Traditional Name: acetic acid; N-[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-[(2-naphthylsulfonylamino)methyl]ethyl]-2-hydroxy-benzamide Formula: C29H36N6O7S MolecularWeight: 612.69714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4O

Isomeric SMILES

CC(=O)O.C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4O

InChI

InChI=1S/C27H32N6O5S.C2H4O2/c28-27(29)33-13-5-6-18(17-33)15-30-26(36)23(32-25(35)22-9-3-4-10-24(22)34)16-31-39(37,38)21-12-11-19-7-1-2-8-20(19)14-21;1-2(3)4/h1-4,7-12,14,18,23,31,34H,5-6,13,15-17H2,(H3,28,29)(H,30,36)(H,32,35);1H3,(H,3,4)