4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-homoveratryl-butyramide Formula: C22H29ClN2O6S MolecularWeight: 484.99346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C22H29ClN2O6S/c1-29-19-10-8-17(15-18(19)23)25(32(4,27)28)13-5-6-22(26)24-12-11-16-7-9-20(30-2)21(14-16)31-3/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,24,26)