ethyl 4-[[(3-chloranyl-2-methyl-phenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3-chloranyl-2-methyl-phenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(3-chloro-2-methyl-phenyl)sulfonyl-(p-tolylmethyl)amino]methyl]benzoate CAS Name: 4-[[(3-chloro-2-methylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-chloro-2-methylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(3-chloro-2-methyl-phenyl)sulfonyl-(4-methylbenzyl)amino]methyl]benzoic acid ethyl ester Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C25H26ClNO4S/c1-4-31-25(28)22-14-12-21(13-15-22)17-27(16-20-10-8-18(2)9-11-20)32(29,30)24-7-5-6-23(26)19(24)3/h5-15H,4,16-17H2,1-3H3