N-[(4-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)carbonyl-1-benzothiophen-5-yl]methanesulfonamide

Systemtic Name: N-[(4-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)carbonyl-1-benzothiophen-5-yl]methanesulfonamide Openeye Name: N-[2-(4-methylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-(p-tolylmethyl)methanesulfonamide CAS Name: N-[(4-methylphenyl)methyl]-N-[2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-benzothiophen-5-yl]methanesulfonamide IUPAC Name: N-[(4-methylphenyl)methyl]-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide Traditional Name: N-(4-methylbenzyl)-N-[2-(4-methylpiperazine-1-carbonyl)benzothiophen-5-yl]methanesulfonamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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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)N4CCN(CC4)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N4CCN(CC4)C)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O3S2/c1-17-4-6-18(7-5-17)16-26(31(3,28)29)20-8-9-21-19(14-20)15-22(30-21)23(27)25-12-10-24(2)11-13-25/h4-9,14-15H,10-13,16H2,1-3H3