(3S)-1-(4-bromophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[3-(cyclohexoxy)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[3-(cyclohexoxy)propyl]nipecotamide Formula: C21H31BrN2O4S MolecularWeight: 487.45084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)OCCCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H31BrN2O4S/c22-18-9-11-20(12-10-18)29(26,27)24-14-4-6-17(16-24)21(25)23-13-5-15-28-19-7-2-1-3-8-19/h9-12,17,19H,1-8,13-16H2,(H,23,25)/t17-/m0/s1