(2S)-N-(3-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-cyanophenyl)-1-mesitylsulfonyl-pyrrolidine-2-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-10-15(2)20(16(3)11-14)28(26,27)24-9-5-8-19(24)21(25)23-18-7-4-6-17(12-18)13-22/h4,6-7,10-12,19H,5,8-9H2,1-3H3,(H,23,25)/t19-/m0/s1