3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-prop-2-enyl-indole-6-carboxamide

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-prop-2-enyl-indole-6-carboxamide Openeye Name: 1-allyl-3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(p-tolylsulfonylamino)ethyl]indole-6-carboxamide CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-prop-2-enyl-6-indolecarboxamide IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-prop-2-enylindole-6-carboxamide Traditional Name: 1-allyl-3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(tosylamino)ethyl]indole-6-carboxamide Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)N)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)N)CC=C

InChI

InChI=1S/C28H25N3O6S/c1-3-12-31-15-22(21-10-6-19(27(29)32)13-23(21)31)26(18-7-11-24-25(14-18)37-16-36-24)28(33)30-38(34,35)20-8-4-17(2)5-9-20/h3-11,13-15,26H,1,12,16H2,2H3,(H2,29,32)(H,30,33)