5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide Formula: C24H21N3O5S2 MolecularWeight: 495.57064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C24H21N3O5S2/c1-16-6-8-17(9-7-16)15-26(34(2,31)32)20-10-11-22-18(12-20)13-23(33-22)24(28)25-19-4-3-5-21(14-19)27(29)30/h3-14H,15H2,1-2H3,(H,25,28)