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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CS3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C21H26N2O3S2/c1-16-4-8-20(9-5-16)28(25,26)22-12-10-17(11-13-22)21(24)23(18-6-7-18)15-19-3-2-14-27-19/h2-5,8-9,14,17-18H,6-7,10-13,15H2,1H3