[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C27H22N2O7S MolecularWeight: 518.53778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N2O7S/c30-23(16-36-27(33)17-7-5-8-18(15-17)37(34,35)29-13-3-4-14-29)28-22-12-6-11-21-24(22)26(32)20-10-2-1-9-19(20)25(21)31/h1-2,5-12,15H,3-4,13-14,16H2,(H,28,30)