(E)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[2-[(4-bromophenyl)sulfonylamino]indan-5-yl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[2-(brosylamino)indan-5-yl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H25BrN2O4S MolecularWeight: 541.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+