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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[2-(3-chlorophenyl)ethyl]nipecotamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22BrClN2O3S/c21-17-6-8-19(9-7-17)28(26,27)24-12-2-4-16(14-24)20(25)23-11-10-15-3-1-5-18(22)13-15/h1,3,5-9,13,16H,2,4,10-12,14H2,(H,23,25)/t16-/m0/s1