3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxamide

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxamide Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-oxo-ethyl]-1-methyl-indole-6-carboxamide CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-oxoethyl]-1-methyl-6-indolecarboxamide IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-oxoethyl]-1-methylindole-6-carboxamide Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylphenyl)sulfonylamino]-2-keto-ethyl]-1-methyl-indole-6-carboxamide Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)C

Isomeric SMILES

CCC1=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)C

InChI

InChI=1S/C27H25N3O6S/c1-3-16-4-8-19(9-5-16)37(33,34)29-27(32)25(17-7-11-23-24(13-17)36-15-35-23)21-14-30(2)22-12-18(26(28)31)6-10-20(21)22/h4-14,25H,3,15H2,1-2H3,(H2,28,31)(H,29,32)