(2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O4S/c1-4-18-8-5-6-9-20(18)24-22(27)16-25(3)23(28)21-10-7-15-26(21)31(29,30)19-13-11-17(2)12-14-19/h5-6,8-9,11-14,21H,4,7,10,15-16H2,1-3H3,(H,24,27)/t21-/m0/s1