[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C23H22N4O4S/c1-16-8-13-20(14-17(16)2)32(29,30)26(3)18-9-11-19(12-10-18)31-23(28)15-27-22-7-5-4-6-21(22)24-25-27/h4-14H,15H2,1-3H3