ethyl 4-[[4-[2-cyanoethyl(phenylsulfonyl)amino]-2-methyl-phenyl]methylideneamino]benzoate

Systemtic Name: ethyl 4-[[4-[2-cyanoethyl(phenylsulfonyl)amino]-2-methyl-phenyl]methylideneamino]benzoate Openeye Name: ethyl 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methyl-phenyl]methyleneamino]benzoate CAS Name: 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]benzoate Traditional Name: 4-[[4-[besyl(2-cyanoethyl)amino]-2-methyl-benzylidene]amino]benzoic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H25N3O4S/c1-3-33-26(30)21-10-13-23(14-11-21)28-19-22-12-15-24(18-20(22)2)29(17-7-16-27)34(31,32)25-8-5-4-6-9-25/h4-6,8-15,18-19H,3,7,17H2,1-2H3