ethyl (E)-3-[5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(benzenesulfonyl)-5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(benzenesulfonyl)-5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-besyl-5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]indol-3-yl]acrylic acid ethyl ester Formula: C29H24N2O9S MolecularWeight: 576.57386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)C=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)/C=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C29H24N2O9S/c1-3-38-29(32)14-11-22-23-16-20(37-2)10-13-25(23)30(41(35,36)21-7-5-4-6-8-21)24(22)12-9-19-15-27-28(40-18-39-27)17-26(19)31(33)34/h4-17H,3,18H2,1-2H3/b12-9+,14-11+