(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(2-methylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(2-methylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(o-tolyl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-(o-tolyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-17-8-4-5-9-19(17)23-22(25)13-11-18-10-12-20(28-2)21(16-18)29(26,27)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,25)/b13-11+