4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-(4-piperidinosulfonylphenyl)benzamide Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S(=O)(=O)C)C

InChI

InChI=1S/C28H33N3O5S2/c1-21-7-14-26(19-22(21)2)31(37(3,33)34)20-23-8-10-24(11-9-23)28(32)29-25-12-15-27(16-13-25)38(35,36)30-17-5-4-6-18-30/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,29,32)