4-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzoic acid CAS Name: 4-[3-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzoic acid Traditional Name: 4-[3-[(1-amidino-3-piperidyl)methylamino]-3-keto-2-(2-naphthylsulfonylamino)propyl]benzoic acid Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O5S/c28-27(29)32-13-3-4-19(17-32)16-30-25(33)24(14-18-7-9-21(10-8-18)26(34)35)31-38(36,37)23-12-11-20-5-1-2-6-22(20)15-23/h1-2,5-12,15,19,24,31H,3-4,13-14,16-17H2,(H3,28,29)(H,30,33)(H,34,35)