2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)butanamide Openeye Name: N-(4-allyloxyphenyl)-2-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)butanamide Traditional Name: N-(4-allyloxyphenyl)-2-(3-chloro-N-mesyl-anilino)butyramide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC=C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC=C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O4S/c1-4-13-27-18-11-9-16(10-12-18)22-20(24)19(5-2)23(28(3,25)26)17-8-6-7-15(21)14-17/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)