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

Systemtic Name: N-butyl-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-butyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O3S2/c1-4-5-12-23-22(25)21-14-18-13-19(10-11-20(18)28-21)24(29(3,26)27)15-17-8-6-16(2)7-9-17/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,23,25)