4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[methylsulfonyl(p-tolylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[mesyl-(4-methylbenzyl)amino]-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S(=O)(=O)C

InChI

InChI=1S/C26H29N3O5S2/c1-20-5-7-21(8-6-20)19-29(35(2,31)32)24-13-9-22(10-14-24)26(30)27-23-11-15-25(16-12-23)36(33,34)28-17-3-4-18-28/h5-16H,3-4,17-19H2,1-2H3,(H,27,30)