2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[(4-isopropoxyphenyl)methyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-isopropoxybenzyl)butyramide Formula: C21H27ClN2O4S MolecularWeight: 438.96808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC(C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC(C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O4S/c1-5-20(24(29(4,26)27)18-8-6-7-17(22)13-18)21(25)23-14-16-9-11-19(12-10-16)28-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,23,25)