(E)-1-[7-bromanyl-1-(4-methylphenyl)sulfonyl-4-phenylmethoxy-indol-3-yl]-3-(dimethylamino)prop-2-en-1-one

Systemtic Name: (E)-1-[7-bromanyl-1-(4-methylphenyl)sulfonyl-4-phenylmethoxy-indol-3-yl]-3-(dimethylamino)prop-2-en-1-one Openeye Name: (E)-1-[4-benzyloxy-7-bromo-1-(p-tolylsulfonyl)indol-3-yl]-3-(dimethylamino)prop-2-en-1-one CAS Name: (E)-1-[7-bromo-1-(4-methylphenyl)sulfonyl-4-phenylmethoxy-3-indolyl]-3-(dimethylamino)-2-propen-1-one IUPAC Name: (E)-1-[7-bromo-1-(4-methylphenyl)sulfonyl-4-phenylmethoxyindol-3-yl]-3-(dimethylamino)prop-2-en-1-one Traditional Name: (E)-1-(4-benzoxy-7-bromo-1-tosyl-indol-3-yl)-3-(dimethylamino)prop-2-en-1-one Formula: C27H25BrN2O4S MolecularWeight: 553.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC(=C32)Br)OCC4=CC=CC=C4)C(=O)C=CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC(=C32)Br)OCC4=CC=CC=C4)C(=O)/C=C/N(C)C

InChI

InChI=1S/C27H25BrN2O4S/c1-19-9-11-21(12-10-19)35(32,33)30-17-22(24(31)15-16-29(2)3)26-25(14-13-23(28)27(26)30)34-18-20-7-5-4-6-8-20/h4-17H,18H2,1-3H3/b16-15+