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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-(4-morpholinosulfonylphenyl)benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-(4-morpholinosulfonylphenyl)benzamide Formula: C27H31N3O6S2 MolecularWeight: 557.68154

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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)N4CCOCC4)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)N4CCOCC4)S(=O)(=O)C)C

InChI

InChI=1S/C27H31N3O6S2/c1-20-4-11-25(18-21(20)2)30(37(3,32)33)19-22-5-7-23(8-6-22)27(31)28-24-9-12-26(13-10-24)38(34,35)29-14-16-36-17-15-29/h4-13,18H,14-17,19H2,1-3H3,(H,28,31)