N-[3-(2,4-dimethylphenyl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(2,4-dimethylphenyl)propyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(2,4-dimethylphenyl)propyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(2,4-dimethylphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-16-9-10-18(17(2)14-16)6-3-11-22-21(24)19-7-4-12-23(15-19)28(25,26)20-8-5-13-27-20/h5,8-10,13-14,19H,3-4,6-7,11-12,15H2,1-2H3,(H,22,24)