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

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-(4-morpholinosulfonylphenyl)butyramide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S2/c1-18-5-3-6-20(17-18)25(32(2,27)28)12-4-7-22(26)23-19-8-10-21(11-9-19)33(29,30)24-13-15-31-16-14-24/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3,(H,23,26)