[2-methoxy-4-[(E)-3-oxidanylidene-3-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-1-enyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-1-enyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)anilino]prop-1-enyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)anilino]prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)prop-1-enyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-3-keto-3-(2-piperidino-5-piperidinosulfonyl-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C34H41N3O7S2 MolecularWeight: 667.83524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5)OC

InChI

InChI=1S/C34H41N3O7S2/c1-25-10-11-26(2)33(22-25)46(41,42)44-31-16-12-27(23-32(31)43-3)13-17-34(38)35-29-24-28(45(39,40)37-20-8-5-9-21-37)14-15-30(29)36-18-6-4-7-19-36/h10-17,22-24H,4-9,18-21H2,1-3H3,(H,35,38)/b17-13+