N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]nipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O4S/c1-15(16-10-11-20(28-2)19(22)13-16)23-21(25)17-7-6-12-24(14-17)29(26,27)18-8-4-3-5-9-18/h3-5,8-11,13,15,17H,6-7,12,14H2,1-2H3,(H,23,25)