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

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-(p-tolylmethyl)methanesulfonamide CAS Name: N-[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-(4-methylbenzyl)methanesulfonamide Formula: C35H35N3O3S2 MolecularWeight: 609.8007

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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(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C

InChI

InChI=1S/C35H35N3O3S2/c1-26-13-15-27(16-14-26)25-38(43(2,40)41)31-17-18-32-30(23-31)24-33(42-32)35(39)37-21-19-36(20-22-37)34(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-18,23-24,34H,19-22,25H2,1-2H3