N-(3-methyl-2-phenyl-butyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(3-methyl-2-phenylbutyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(3-methyl-2-phenyl-butyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S2/c1-16(2)19(17-8-4-3-5-9-17)14-22-21(24)18-10-6-12-23(15-18)28(25,26)20-11-7-13-27-20/h3-5,7-9,11,13,16,18-19H,6,10,12,14-15H2,1-2H3,(H,22,24)