[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O7S/c25-21(14-29-22(26)10-4-16-3-9-19-20(13-16)31-15-30-19)23-17-5-7-18(8-6-17)32(27,28)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14-15H2,(H,23,25)