(4-pyrazol-1-ylphenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O5S/c1-16(26)23-18-6-10-20(11-7-18)31(28,29)24(2)14-21(27)30-15-17-4-8-19(9-5-17)25-13-3-12-22-25/h3-13H,14-15H2,1-2H3,(H,23,26)