(2S)-N-[1-(3-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(3-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(3-bromophenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(3-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(3-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(3-bromophenyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-14-8-10-18(11-9-14)27(25,26)23-12-4-7-19(23)20(24)22-15(2)16-5-3-6-17(21)13-16/h3,5-6,8-11,13,15,19H,4,7,12H2,1-2H3,(H,22,24)/t15?,19-/m0/s1