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

Systemtic Name: (E)-3-(2-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(o-tolyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(2-methylphenyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(o-tolyl)-N-(4-pyrrolidinosulfonylphenyl)acrylamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-16-6-2-3-7-17(16)8-13-20(23)21-18-9-11-19(12-10-18)26(24,25)22-14-4-5-15-22/h2-3,6-13H,4-5,14-15H2,1H3,(H,21,23)/b13-8+