N'-(3,5-dimethylphenyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]ethanediamide

Systemtic Name: N'-(3,5-dimethylphenyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]ethanediamide Openeye Name: N'-(3,5-dimethylphenyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide CAS Name: N'-(3,5-dimethylphenyl)-N-[2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]oxamide IUPAC Name: N'-(3,5-dimethylphenyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide Traditional Name: N'-(3,5-dimethylphenyl)-N-[2-(4-pyrrolidinosulfonylphenyl)ethyl]oxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H27N3O4S/c1-16-13-17(2)15-19(14-16)24-22(27)21(26)23-10-9-18-5-7-20(8-6-18)30(28,29)25-11-3-4-12-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,23,26)(H,24,27)