methyl (E)-4-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methyl-(phenylsulfonyl)amino]but-2-enoate

Systemtic Name: methyl (E)-4-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methyl-(phenylsulfonyl)amino]but-2-enoate Openeye Name: methyl (E)-4-[benzenesulfonyl-[[1-(benzenesulfonyl)-3-bromo-indol-2-yl]methyl]amino]but-2-enoate CAS Name: (E)-4-[benzenesulfonyl-[[1-(benzenesulfonyl)-3-bromo-2-indolyl]methyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[benzenesulfonyl-[[1-(benzenesulfonyl)-3-bromoindol-2-yl]methyl]amino]but-2-enoate Traditional Name: (E)-4-[besyl-[(1-besyl-3-bromo-indol-2-yl)methyl]amino]but-2-enoic acid methyl ester Formula: C26H23BrN2O6S2 MolecularWeight: 603.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN(CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/CN(CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O6S2/c1-35-25(30)17-10-18-28(36(31,32)20-11-4-2-5-12-20)19-24-26(27)22-15-8-9-16-23(22)29(24)37(33,34)21-13-6-3-7-14-21/h2-17H,18-19H2,1H3/b17-10+