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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-2-methoxy-1-methyl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[(1S)-2-methoxy-1-methyl-ethyl]nipecotamide Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O4S/c1-12(11-23-2)18-16(20)13-4-3-9-19(10-13)24(21,22)15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1