1-[2-(3-phenylazanyl-6-phenylimino-xanthen-9-yl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-phenylazanyl-6-phenylimino-xanthen-9-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(3-anilino-6-phenylimino-xanthen-9-yl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[2-(3-anilino-6-phenylimino-9-xanthenyl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-anilino-6-phenyliminoxanthen-9-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(3-anilino-6-phenylimino-xanthen-9-yl)phenyl]sulfonylisonipecotic acid Formula: C37H31N3O5S MolecularWeight: 629.72414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC=C2C3=C4C=CC(=NC5=CC=CC=C5)C=C4OC6=C3C=CC(=C6)NC7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC=C2C3=C4C=CC(=NC5=CC=CC=C5)C=C4OC6=C3C=CC(=C6)NC7=CC=CC=C7

InChI

InChI=1S/C37H31N3O5S/c41-37(42)25-19-21-40(22-20-25)46(43,44)35-14-8-7-13-32(35)36-30-17-15-28(38-26-9-3-1-4-10-26)23-33(30)45-34-24-29(16-18-31(34)36)39-27-11-5-2-6-12-27/h1-18,23-25,38H,19-22H2,(H,41,42)