3-[3-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[3-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[3-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-1-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3-(1-methyl-3-indolyl)-2,5-dioxo-1-pyrrolyl]propyl ester IUPAC Name: 3-[3-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2,5-diketo-3-(1-methylindol-3-yl)-3-pyrrolin-1-yl]propyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C(=O)C=C(C2=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C(=O)C=C(C2=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H22N2O5S/c1-16-8-10-17(11-9-16)31(28,29)30-13-5-12-25-22(26)14-19(23(25)27)20-15-24(2)21-7-4-3-6-18(20)21/h3-4,6-11,14-15H,5,12-13H2,1-2H3