ethyl 4-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]-3-methyl-benzoate CAS Name: 4-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate Traditional Name: 4-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-5-30-22(27)17-9-11-19(16(3)13-17)24-21(26)7-6-12-25(31(4,28)29)20-14-18(23)10-8-15(20)2/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26)