3-[[[2-[(2-aminophenyl)carbonylamino]-3-naphthalen-2-ylsulfonyl-propanoyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: 3-[[[2-[(2-aminophenyl)carbonylamino]-3-naphthalen-2-ylsulfonyl-propanoyl]amino]methyl]piperidine-1-carboxylate Openeye Name: 3-[[[2-[(2-aminobenzoyl)amino]-3-(2-naphthylsulfonyl)propanoyl]amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[2-[[(2-aminophenyl)-oxomethyl]amino]-3-(2-naphthalenylsulfonyl)-1-oxopropyl]amino]methyl]-1-piperidinecarboxylate IUPAC Name: 3-[[[2-[(2-aminobenzoyl)amino]-3-naphthalen-2-ylsulfonylpropanoyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[2-(anthraniloylamino)-3-(2-naphthylsulfonyl)propanoyl]amino]methyl]piperidine-1-carboxylate Formula: C27H29N4O6S- MolecularWeight: 537.60736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)[O-])CNC(=O)C(CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4N

Isomeric SMILES

C1CC(CN(C1)C(=O)[O-])CNC(=O)C(CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4N

InChI

InChI=1S/C27H30N4O6S/c28-23-10-4-3-9-22(23)25(32)30-24(26(33)29-15-18-6-5-13-31(16-18)27(34)35)17-38(36,37)21-12-11-19-7-1-2-8-20(19)14-21/h1-4,7-12,14,18,24H,5-6,13,15-17,28H2,(H,29,33)(H,30,32)(H,34,35)/p-1