ethyl 3-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 3-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O6S/c1-4-30-21(26)15-7-5-8-16(13-15)23-20(25)9-6-12-24(31(3,27)28)17-10-11-19(29-2)18(22)14-17/h5,7-8,10-11,13-14H,4,6,9,12H2,1-3H3,(H,23,25)