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

Systemtic Name: N-cyclopropyl-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-cyclopropyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-cyclopropyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-cyclopropyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-cyclopropyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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)NC4CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4CC4)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-3-5-15(6-4-14)13-23(28(2,25)26)18-9-10-19-16(11-18)12-20(27-19)21(24)22-17-7-8-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,22,24)