(2S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(pivaloylamino)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=CC=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC(=CC=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H29N3O4S/c1-16-10-12-19(13-11-16)31(29,30)26-14-6-9-20(26)21(27)24-17-7-5-8-18(15-17)25-22(28)23(2,3)4/h5,7-8,10-13,15,20H,6,9,14H2,1-4H3,(H,24,27)(H,25,28)/t20-/m0/s1