N-(2-tert-butylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(C)(C)C

InChI

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