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

Systemtic Name: 5-(4-chlorophenyl)carbonyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid Openeye Name: 5-(4-chlorobenzoyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid IUPAC Name: 5-(4-chlorobenzoyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-sulfonic acid Traditional Name: 5-(4-chlorobenzoyl)-3,4-dihydro-1H-thiopyran[4,3-b]indole-8-sulfonic acid Formula: C18H14ClNO4S2 MolecularWeight: 407.89106

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4S2/c19-12-3-1-11(2-4-12)18(21)20-16-6-5-13(26(22,23)24)9-14(16)15-10-25-8-7-17(15)20/h1-6,9H,7-8,10H2,(H,22,23,24)