6-hexylsulfonyl-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 6-hexylsulfonyl-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 9-benzoyl-6-hexylsulfonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 9-benzoyl-6-hexylsulfonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 9-benzoyl-6-hexylsulfonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 9-benzoyl-6-hexylsulfonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO5S/c1-2-3-4-8-15-33(31,32)20-12-14-24-22(17-20)21-16-19(26(29)30)11-13-23(21)27(24)25(28)18-9-6-5-7-10-18/h5-7,9-10,12,14,17,19H,2-4,8,11,13,15-16H2,1H3,(H,29,30)