(4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-chloro-5-isopropyl-2-methyl-phenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (4-chloro-2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-2-methyl-5-propan-2-ylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (4-chloro-5-isopropyl-2-methyl-phenyl) ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-13(2)18-11-20(14(3)10-19(18)22)29-21(26)12-24(5)30(27,28)17-8-6-16(7-9-17)23-15(4)25/h6-11,13H,12H2,1-5H3,(H,23,25)