4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[(3-ethoxyphenyl)methyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(3-ethoxybenzyl)butyramide Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)CCCN(C2=C(C=CC(=C2)Cl)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)CCCN(C2=C(C=CC(=C2)Cl)C)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O4S/c1-4-28-19-8-5-7-17(13-19)15-23-21(25)9-6-12-24(29(3,26)27)20-14-18(22)11-10-16(20)2/h5,7-8,10-11,13-14H,4,6,9,12,15H2,1-3H3,(H,23,25)