[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 1-[2-(3-phenylazanyl-6-phenylimino-xanthen-9-yl)phenyl]sulfinyloxypiperidine-4-carboxylate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 1-[2-(3-phenylazanyl-6-phenylimino-xanthen-9-yl)phenyl]sulfinyloxypiperidine-4-carboxylate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 1-[2-(3-anilino-6-phenylimino-xanthen-9-yl)phenyl]sulfinyloxypiperidine-4-carboxylate CAS Name: 1-[2-(3-anilino-6-phenylimino-9-xanthenyl)phenyl]sulfinyloxy-4-piperidinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-[2-(3-anilino-6-phenyliminoxanthen-9-yl)phenyl]sulfinyloxypiperidine-4-carboxylate Traditional Name: 1-[2-(3-anilino-6-phenylimino-xanthen-9-yl)phenyl]sulfinyloxyisonipecotic acid succinimido ester Formula: C41H34N4O7S MolecularWeight: 726.79626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)ON2C(=O)CCC2=O)OS(=O)C3=CC=CC=C3C4=C5C=CC(=NC6=CC=CC=C6)C=C5OC7=C4C=CC(=C7)NC8=CC=CC=C8

Isomeric SMILES

C1CN(CCC1C(=O)ON2C(=O)CCC2=O)OS(=O)C3=CC=CC=C3C4=C5C=CC(=NC6=CC=CC=C6)C=C5OC7=C4C=CC(=C7)NC8=CC=CC=C8

InChI

InChI=1S/C41H34N4O7S/c46-38-19-20-39(47)45(38)51-41(48)27-21-23-44(24-22-27)52-53(49)37-14-8-7-13-34(37)40-32-17-15-30(42-28-9-3-1-4-10-28)25-35(32)50-36-26-31(16-18-33(36)40)43-29-11-5-2-6-12-29/h1-18,25-27,42H,19-24H2