N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H27N3O4S2/c1-15-6-9-18(10-7-15)22-19(25)14-23(3)21(26)17-5-4-12-24(13-17)30(27,28)20-11-8-16(2)29-20/h6-11,17H,4-5,12-14H2,1-3H3,(H,22,25)