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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-morpholinosulfonylphenyl)butyramide Formula: C21H26ClN3O6S2 MolecularWeight: 516.03064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O6S2/c1-3-20(25(32(2,27)28)18-6-4-5-16(22)15-18)21(26)23-17-7-9-19(10-8-17)33(29,30)24-11-13-31-14-12-24/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,26)