4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-(4-piperidinosulfonylphenyl)butyramide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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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)N3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S2/c1-19-8-6-9-21(18-19)26(32(2,28)29)17-7-10-23(27)24-20-11-13-22(14-12-20)33(30,31)25-15-4-3-5-16-25/h6,8-9,11-14,18H,3-5,7,10,15-17H2,1-2H3,(H,24,27)