(3S)-N-(4,5-dimethoxy-2-methyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4,5-dimethoxy-2-methyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4,5-dimethoxy-2-methyl-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4,5-dimethoxy-2-methyl-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C20H26N2O5S2/c1-13-10-17(26-3)18(27-4)11-16(13)21-20(23)15-6-5-9-22(12-15)29(24,25)19-8-7-14(2)28-19/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,21,23)/t15-/m0/s1