(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Openeye Name: (E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-(1-methylsulfonyl-4-piperidyl)prop-2-enamide CAS Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-N-(1-methylsulfonyl-4-piperidinyl)-2-propenamide IUPAC Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Traditional Name: (E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-(1-mesyl-4-piperidyl)acrylamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=CC(=O)NC3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C(=O)NC3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C22H29N3O3S/c1-16-5-8-21(9-6-16)25-17(2)15-19(18(25)3)7-10-22(26)23-20-11-13-24(14-12-20)29(4,27)28/h5-10,15,20H,11-14H2,1-4H3,(H,23,26)/b10-7+