4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(3-nitrophenyl)benzamide Openeye Name: 4-[methylsulfonyl(p-tolylmethyl)amino]-N-(3-nitrophenyl)benzamide CAS Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-nitrophenyl)benzamide IUPAC Name: 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-nitrophenyl)benzamide Traditional Name: 4-[mesyl-(4-methylbenzyl)amino]-N-(3-nitrophenyl)benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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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(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C22H21N3O5S/c1-16-6-8-17(9-7-16)15-24(31(2,29)30)20-12-10-18(11-13-20)22(26)23-19-4-3-5-21(14-19)25(27)28/h3-14H,15H2,1-2H3,(H,23,26)