3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-methyl-benzenesulfonamide Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N,N-diethyl-4-methyl-benzenesulfonamide CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-N,N-diethyl-4-methylbenzenesulfonamide IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-N,N-diethyl-4-methyl-benzenesulfonamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3S2/c1-4-28(5-2)33(30,31)21-11-10-19(3)23(16-21)25(29)27-14-12-26(13-15-27)17-20-18-32-24-9-7-6-8-22(20)24/h6-11,16,18H,4-5,12-15,17H2,1-3H3