(E)-4-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenyl-indol-2-yl]but-3-en-2-one

Systemtic Name: (E)-4-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenyl-indol-2-yl]but-3-en-2-one Openeye Name: (E)-4-[5,6-dimethoxy-3-phenyl-1-(p-tolylsulfonyl)indol-2-yl]but-3-en-2-one CAS Name: (E)-4-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenyl-2-indolyl]-3-buten-2-one IUPAC Name: (E)-4-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]but-3-en-2-one Traditional Name: (E)-4-(5,6-dimethoxy-3-phenyl-1-tosyl-indol-2-yl)but-3-en-2-one Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C2C=CC(=O)C)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C2/C=C/C(=O)C)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H25NO5S/c1-18-10-13-21(14-11-18)34(30,31)28-23(15-12-19(2)29)27(20-8-6-5-7-9-20)22-16-25(32-3)26(33-4)17-24(22)28/h5-17H,1-4H3/b15-12+