(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-methyl-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-methyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[(5-bromo-2-thienyl)sulfonyl]-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[(5-bromo-2-thienyl)sulfonyl]-N-methyl-nipecotamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O3S2/c1-20(12-14-6-3-2-4-7-14)18(22)15-8-5-11-21(13-15)26(23,24)17-10-9-16(19)25-17/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3/t15-/m0/s1