(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2,6-dimethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,6-dimethylphenyl)nipecotamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S2/c1-12-5-3-6-13(2)17(12)20-18(22)14-7-4-10-21(11-14)26(23,24)16-9-8-15(19)25-16/h3,5-6,8-9,14H,4,7,10-11H2,1-2H3,(H,20,22)/t14-/m0/s1