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

Systemtic Name: N-[(4-methylphenyl)methyl]-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-(p-tolylmethyl)methanesulfonamide CAS Name: N-[(4-methylphenyl)methyl]-N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzothiophen-5-yl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-(4-methylbenzyl)methanesulfonamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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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)CC5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C29H31N3O3S2/c1-22-8-10-24(11-9-22)21-32(37(2,34)35)26-12-13-27-25(18-26)19-28(36-27)29(33)31-16-14-30(15-17-31)20-23-6-4-3-5-7-23/h3-13,18-19H,14-17,20-21H2,1-2H3