propyl 4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid propyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-4-13-30-21(27)16-5-7-18(8-6-16)23-20(26)14-24(3)31(28,29)19-11-9-17(10-12-19)22-15(2)25/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,23,26)