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

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

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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)NCC(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-15(2)13-23-22(25)21-12-18-11-19(9-10-20(18)28-21)24(29(4,26)27)14-17-7-5-16(3)6-8-17/h5-12,15H,13-14H2,1-4H3,(H,23,25)