N-[cyclopropyl-(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[cyclopropyl-(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[cyclopropyl(p-tolyl)methyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

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