(E)-1-[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-3-(dimethylamino)prop-2-en-1-one

Systemtic Name: (E)-1-[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-3-(dimethylamino)prop-2-en-1-one Openeye Name: (E)-1-[5-bromo-1-(p-tolylsulfonyl)indol-3-yl]-3-(dimethylamino)prop-2-en-1-one CAS Name: (E)-1-[5-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-3-(dimethylamino)-2-propen-1-one IUPAC Name: (E)-1-[5-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-3-(dimethylamino)prop-2-en-1-one Traditional Name: (E)-1-(5-bromo-1-tosyl-indol-3-yl)-3-(dimethylamino)prop-2-en-1-one Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C(=O)C=CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C(=O)/C=C/N(C)C

InChI

InChI=1S/C20H19BrN2O3S/c1-14-4-7-16(8-5-14)27(25,26)23-13-18(20(24)10-11-22(2)3)17-12-15(21)6-9-19(17)23/h4-13H,1-3H3/b11-10+