(3R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3R)-N-cyclopropyl-1-(p-tolylsulfonyl)-N-(2-thienylmethyl)piperidine-3-carboxamide CAS Name: (3R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3R)-N-cyclopropyl-N-(2-thenyl)-1-tosyl-nipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CC=CS3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C21H26N2O3S2/c1-16-6-10-20(11-7-16)28(25,26)22-12-2-4-17(14-22)21(24)23(18-8-9-18)15-19-5-3-13-27-19/h3,5-7,10-11,13,17-18H,2,4,8-9,12,14-15H2,1H3/t17-/m1/s1