(3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[2-(3-methylphenoxy)ethyl]nipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-16-4-2-6-19(14-16)28-13-11-23-21(25)17-5-3-12-24(15-17)29(26,27)20-9-7-18(22)8-10-20/h2,4,6-10,14,17H,3,5,11-13,15H2,1H3,(H,23,25)/t17-/m0/s1