methyl 4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCC(CC1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H34N4O5S/c1-34-25(31)28-16-12-20(13-17-28)19-29(24(30)27-14-6-2-3-7-15-27)26-35(32,33)23-11-10-21-8-4-5-9-22(21)18-23/h4-5,8-11,18,20,26H,2-3,6-7,12-17,19H2,1H3