methyl 3-[[cycloheptylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 3-[[cycloheptylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 3-[[cycloheptylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[(cycloheptylamino)-oxomethyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[cycloheptylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[cycloheptylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C26H36N4O5S MolecularWeight: 516.65284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(C1)CN(C(=O)NC2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCCC(C1)CN(C(=O)NC2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H36N4O5S/c1-35-26(32)29-16-8-9-20(18-29)19-30(25(31)27-23-12-4-2-3-5-13-23)28-36(33,34)24-15-14-21-10-6-7-11-22(21)17-24/h6-7,10-11,14-15,17,20,23,28H,2-5,8-9,12-13,16,18-19H2,1H3,(H,27,31)