N-[1-(2,5-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-14-8-9-15(2)18(12-14)16(3)21-20(23)17-6-4-10-22(13-17)27(24,25)19-7-5-11-26-19/h5,7-9,11-12,16-17H,4,6,10,13H2,1-3H3,(H,21,23)