4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 4-(4-methyl-N-methylsulfonyl-anilino)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-(4-morpholinosulfonylphenyl)butyramide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S2/c1-18-5-9-20(10-6-18)25(32(2,27)28)13-3-4-22(26)23-19-7-11-21(12-8-19)33(29,30)24-14-16-31-17-15-24/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)