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

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-[(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)anilino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(2-piperidino-5-piperidinosulfonyl-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C33H39N3O7S2 MolecularWeight: 653.80866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)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)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/C33H39N3O7S2/c1-25-9-13-27(14-10-25)45(40,41)43-31-17-11-26(23-32(31)42-2)12-18-33(37)34-29-24-28(44(38,39)36-21-7-4-8-22-36)15-16-30(29)35-19-5-3-6-20-35/h9-18,23-24H,3-8,19-22H2,1-2H3,(H,34,37)/b18-12+