2-(1,3-benzodioxol-5-yl)-2-(6-bromanyl-1-methyl-indol-3-yl)-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(6-bromanyl-1-methyl-indol-3-yl)-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(6-bromo-1-methyl-indol-3-yl)-N-(p-tolylsulfonyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(6-bromo-1-methyl-3-indolyl)-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(6-bromo-1-methylindol-3-yl)-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(6-bromo-1-methyl-indol-3-yl)-N-tosyl-acetamide Formula: C25H21BrN2O5S MolecularWeight: 541.41364

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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)Br)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)Br)C

InChI

InChI=1S/C25H21BrN2O5S/c1-15-3-7-18(8-4-15)34(30,31)27-25(29)24(16-5-10-22-23(11-16)33-14-32-22)20-13-28(2)21-12-17(26)6-9-19(20)21/h3-13,24H,14H2,1-2H3,(H,27,29)