(3S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H27N3O4S2/c1-3-16-7-4-5-9-18(16)23-19(25)13-22-21(26)17-8-6-12-24(14-17)30(27,28)20-11-10-15(2)29-20/h4-5,7,9-11,17H,3,6,8,12-14H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1