methyl (Z)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (Z)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (Z)-6-[2-[(4-bromophenyl)sulfonylamino]indan-5-yl]-6-(3-pyridyl)hex-5-enoate CAS Name: (Z)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (Z)-6-[2-[(4-bromophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (Z)-6-[2-(brosylamino)indan-5-yl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C27H27BrN2O4S MolecularWeight: 555.48328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC2=C(CC(C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C=C1)C4=CN=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C(/C1=CC2=C(CC(C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C=C1)\C4=CN=CC=C4

InChI

InChI=1S/C27H27BrN2O4S/c1-34-27(31)7-3-2-6-26(21-5-4-14-29-18-21)20-9-8-19-16-24(17-22(19)15-20)30-35(32,33)25-12-10-23(28)11-13-25/h4-6,8-15,18,24,30H,2-3,7,16-17H2,1H3/b26-6-