N-(3-methylbutyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3-methylbutyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-isopentyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(3-methylbutyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-methylbutyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-isoamyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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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)NCCC(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S2/c1-16(2)11-12-24-23(26)22-14-19-13-20(9-10-21(19)29-22)25(30(4,27)28)15-18-7-5-17(3)6-8-18/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,26)