(3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-methylpropyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-butan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[(1S)-1-methylpropyl]nipecotamide Formula: C16H23BrN2O3S MolecularWeight: 403.33442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O3S/c1-3-12(2)18-16(20)13-5-4-10-19(11-13)23(21,22)15-8-6-14(17)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1