4-[2-[[4-methoxycarbonyl-1-(phenylsulfonyl)indol-3-yl]sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[4-methoxycarbonyl-1-(phenylsulfonyl)indol-3-yl]sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[1-(benzenesulfonyl)-4-methoxycarbonyl-indol-3-yl]sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[[1-(benzenesulfonyl)-4-methoxycarbonyl-3-indolyl]sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[[1-(benzenesulfonyl)-4-methoxycarbonylindol-3-yl]sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(1-besyl-4-carbomethoxy-indol-3-yl)sulfonylamino]ethyl]benzoic acid Formula: C25H22N2O8S2 MolecularWeight: 542.58078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O8S2/c1-35-25(30)20-8-5-9-21-23(20)22(16-27(21)37(33,34)19-6-3-2-4-7-19)36(31,32)26-15-14-17-10-12-18(13-11-17)24(28)29/h2-13,16,26H,14-15H2,1H3,(H,28,29)