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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(4-bromophenyl)sulfonyl-N-cyclopropyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-brosyl-N-cyclopropyl-nipecotamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N(CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N(CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H25BrN2O3S/c23-19-8-12-21(13-9-19)29(27,28)24-14-4-7-18(16-24)22(26)25(20-10-11-20)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,12-13,18,20H,4,7,10-11,14-16H2/t18-/m0/s1