(2S)-N-[(4-acetamidophenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-acetamidophenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-acetamidophenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-acetamidophenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-acetamidophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-acetamidobenzyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-15-5-11-19(12-6-15)29(27,28)24-13-3-4-20(24)21(26)22-14-17-7-9-18(10-8-17)23-16(2)25/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)/t20-/m0/s1