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

Systemtic Name: ethyl 3-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O6S/c1-5-31-22(27)16-9-8-15(2)19(13-16)24-21(26)7-6-12-25(32(4,28)29)17-10-11-20(30-3)18(23)14-17/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26)