2-azanyl-N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 2-azanyl-N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-amino-N-[2-[(1-carbamimidoyl-3-piperidyl)methylamino]-1-[(2-naphthylsulfonylamino)methyl]-2-oxo-ethyl]benzamide CAS Name: 2-amino-N-[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(2-naphthalenylsulfonylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 2-amino-N-[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-[(1-amidino-3-piperidyl)methylamino]-2-keto-1-[(2-naphthylsulfonylamino)methyl]ethyl]-2-amino-benzamide Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4N

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4N

InChI

InChI=1S/C27H33N7O4S/c28-23-10-4-3-9-22(23)25(35)33-24(26(36)31-15-18-6-5-13-34(17-18)27(29)30)16-32-39(37,38)21-12-11-19-7-1-2-8-20(19)14-21/h1-4,7-12,14,18,24,32H,5-6,13,15-17,28H2,(H3,29,30)(H,31,36)(H,33,35)