methyl 4-[3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[allyl(p-tolylsulfonyl)amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[allyl(tosyl)amino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O6S/c1-4-13-23(31(28,29)18-11-5-15(2)6-12-18)19-14-20(25)24(21(19)26)17-9-7-16(8-10-17)22(27)30-3/h4-12,19H,1,13-14H2,2-3H3