(3S)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N2O4S2/c1-15-7-8-18(26-2)16(13-15)9-10-21-20(23)17-5-3-11-22(14-17)28(24,25)19-6-4-12-27-19/h4,6-8,12-13,17H,3,5,9-11,14H2,1-2H3,(H,21,23)/t17-/m0/s1