5-(4-phenylphenyl)carbonyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid

Systemtic Name: 5-(4-phenylphenyl)carbonyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid Openeye Name: 5-(4-phenylbenzoyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid CAS Name: 5-[oxo-(4-phenylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid IUPAC Name: 5-(4-phenylbenzoyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid Traditional Name: 5-(4-phenylbenzoyl)-3,4-dihydro-1H-thiopyran[4,3-b]indole-8-sulfonic acid Formula: C24H19NO4S2 MolecularWeight: 449.54196

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=C1N(C3=C2C=C(C=C3)S(=O)(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CSCC2=C1N(C3=C2C=C(C=C3)S(=O)(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H19NO4S2/c26-24(18-8-6-17(7-9-18)16-4-2-1-3-5-16)25-22-11-10-19(31(27,28)29)14-20(22)21-15-30-13-12-23(21)25/h1-11,14H,12-13,15H2,(H,27,28,29)