2-(2-carboxy-1H-indol-3-yl)-3-[2-carboxy-1-(phenylsulfonyl)indol-3-yl]butanedioic acid

Systemtic Name: 2-(2-carboxy-1H-indol-3-yl)-3-[2-carboxy-1-(phenylsulfonyl)indol-3-yl]butanedioic acid Openeye Name: 2-[1-(benzenesulfonyl)-2-carboxy-indol-3-yl]-3-(2-carboxy-1H-indol-3-yl)butanedioic acid CAS Name: 2-[1-(benzenesulfonyl)-2-carboxy-3-indolyl]-3-(2-carboxy-1H-indol-3-yl)butanedioic acid IUPAC Name: 2-[1-(benzenesulfonyl)-2-carboxyindol-3-yl]-3-(2-carboxy-1H-indol-3-yl)butanedioic acid Traditional Name: 2-(1-besyl-2-carboxy-indol-3-yl)-3-(2-carboxy-1H-indol-3-yl)succinic acid Formula: C28H20N2O10S MolecularWeight: 576.5308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)O)C(C(C4=C(NC5=CC=CC=C54)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)O)C(C(C4=C(NC5=CC=CC=C54)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C28H20N2O10S/c31-25(32)21(19-15-10-4-6-12-17(15)29-23(19)27(35)36)22(26(33)34)20-16-11-5-7-13-18(16)30(24(20)28(37)38)41(39,40)14-8-2-1-3-9-14/h1-13,21-22,29H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)