2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-homoveratryl-butyramide Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O5S/c1-5-18(24(30(4,26)27)17-8-6-7-16(22)14-17)21(25)23-12-11-15-9-10-19(28-2)20(13-15)29-3/h6-10,13-14,18H,5,11-12H2,1-4H3,(H,23,25)