[2,5-bis(oxidanylidene)-3,4-bis(2-phenylpropyl)pyrrolidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3,4-bis(2-phenylpropyl)pyrrolidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2,5-dioxo-3,4-bis(2-phenylpropyl)pyrrolidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,5-dioxo-3,4-bis(2-phenylpropyl)-1-pyrrolidinyl] ester IUPAC Name: [2,5-dioxo-3,4-bis(2-phenylpropyl)pyrrolidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,5-diketo-3,4-bis(2-phenylpropyl)pyrrolidino] ester Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C(C(C2=O)CC(C)C3=CC=CC=C3)CC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C(C(C2=O)CC(C)C3=CC=CC=C3)CC(C)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO5S/c1-20-14-16-25(17-15-20)36(33,34)35-30-28(31)26(18-21(2)23-10-6-4-7-11-23)27(29(30)32)19-22(3)24-12-8-5-9-13-24/h4-17,21-22,26-27H,18-19H2,1-3H3