(phenylmethyl) 4-[(4-aminophenyl)methylsulfonyl]benzotriazole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-aminophenyl)methylsulfonyl]benzotriazole-1-carboxylate Openeye Name: benzyl 4-[(4-aminophenyl)methylsulfonyl]benzotriazole-1-carboxylate CAS Name: 4-[(4-aminophenyl)methylsulfonyl]-1-benzotriazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-aminophenyl)methylsulfonyl]benzotriazole-1-carboxylate Traditional Name: 4-(4-aminobenzyl)sulfonylbenzotriazole-1-carboxylic acid benzyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C3=C(C(=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)N)N=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C3=C(C(=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)N)N=N2

InChI

InChI=1S/C21H18N4O4S/c22-17-11-9-16(10-12-17)14-30(27,28)19-8-4-7-18-20(19)23-24-25(18)21(26)29-13-15-5-2-1-3-6-15/h1-12H,13-14,22H2