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

Systemtic Name: N-(4-butylphenyl)-5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-butylphenyl)-5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzothiophene-2-carboxamide CAS Name: N-(4-butylphenyl)-5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-butylphenyl)-5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-butylphenyl)-5-[(4-chlorobenzyl)-mesyl-amino]benzothiophene-2-carboxamide Formula: C27H27ClN2O3S2 MolecularWeight: 527.09788

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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)Cl)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)Cl)S(=O)(=O)C

InChI

InChI=1S/C27H27ClN2O3S2/c1-3-4-5-19-8-12-23(13-9-19)29-27(31)26-17-21-16-24(14-15-25(21)34-26)30(35(2,32)33)18-20-6-10-22(28)11-7-20/h6-17H,3-5,18H2,1-2H3,(H,29,31)