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

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(3-propan-2-yloxyphenyl)butanamide Openeye Name: N-(3-isopropoxyphenyl)-4-(3-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide Traditional Name: N-(3-isopropoxyphenyl)-4-(N-mesyl-3-methyl-anilino)butyramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S/c1-16(2)27-20-11-6-9-18(15-20)22-21(24)12-7-13-23(28(4,25)26)19-10-5-8-17(3)14-19/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,22,24)