(3-methyl-4-propan-2-yl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)20-11-8-18(12-15(20)3)28-21(25)13-23(5)29(26,27)19-9-6-17(7-10-19)22-16(4)24/h6-12,14H,13H2,1-5H3,(H,22,24)