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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(4-phenoxyphenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-phenoxyphenyl)butyramide Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C23H23ClN2O4S/c1-3-22(26(31(2,28)29)19-9-7-8-17(24)16-19)23(27)25-18-12-14-21(15-13-18)30-20-10-5-4-6-11-20/h4-16,22H,3H2,1-2H3,(H,25,27)