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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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