(E)-3-(2,4-dimethylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(2,4-dimethylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(2,4-dimethylphenyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2,4-dimethylphenyl)-N-(4-pyrrolidinosulfonylphenyl)acrylamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H24N2O3S/c1-16-5-6-18(17(2)15-16)7-12-21(24)22-19-8-10-20(11-9-19)27(25,26)23-13-3-4-14-23/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,24)/b12-7+