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

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2,5-dimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,5-dimethoxyphenyl)nipecotamide Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O5S2/c1-25-13-5-6-15(26-2)14(10-13)20-18(22)12-4-3-9-21(11-12)28(23,24)17-8-7-16(19)27-17/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,20,22)/t12-/m0/s1