N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(phenylcarbonyl)piperidine-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(phenylcarbonyl)piperidine-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-benzoyl-piperidine-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-benzoyl-2-piperidinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-benzoylpiperidine-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-benzoyl-pipecolinamide Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCCCN3C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCCCN3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-34-24-15-14-21(35(32,33)28-16-8-2-3-9-17-28)19-22(24)27-25(30)23-13-7-10-18-29(23)26(31)20-11-5-4-6-12-20/h4-6,11-12,14-15,19,23H,2-3,7-10,13,16-18H2,1H3,(H,27,30)