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

Systemtic Name: N-(4-butylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-butylphenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(4-butylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-butylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-butylphenyl)-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C28H30N2O3S2/c1-4-5-6-21-11-13-24(14-12-21)29-28(31)27-18-23-17-25(15-16-26(23)34-27)30(35(3,32)33)19-22-9-7-20(2)8-10-22/h7-18H,4-6,19H2,1-3H3,(H,29,31)