(E)-4-[1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-indol-3-yl]but-3-en-2-one

Systemtic Name: (E)-4-[1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-indol-3-yl]but-3-en-2-one Openeye Name: (E)-4-[4-allyl-1-(p-tolylsulfonyl)indol-3-yl]but-3-en-2-one CAS Name: (E)-4-[1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-3-indolyl]-3-buten-2-one IUPAC Name: (E)-4-[1-(4-methylphenyl)sulfonyl-4-prop-2-enylindol-3-yl]but-3-en-2-one Traditional Name: (E)-4-(4-allyl-1-tosyl-indol-3-yl)but-3-en-2-one Formula: C22H21NO3S MolecularWeight: 379.47204

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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)CC=C)C=CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)CC=C)/C=C/C(=O)C

InChI

InChI=1S/C22H21NO3S/c1-4-6-18-7-5-8-21-22(18)19(12-11-17(3)24)15-23(21)27(25,26)20-13-9-16(2)10-14-20/h4-5,7-15H,1,6H2,2-3H3/b12-11+