ethyl 4-[[3-azanyl-3-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-azanyl-3-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)propanoyl]amino]benzoate Openeye Name: ethyl 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)propanoyl]amino]benzoate CAS Name: 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-methylol-propanoyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CO)C(N)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CO)C(N)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O6S/c1-2-28-19(25)12-3-7-14(8-4-12)22-18(24)16(11-23)17(21)29(26,27)15-9-5-13(20)6-10-15/h3-10,16-17,23H,2,11,21H2,1H3,(H,22,24)