1-(1-benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-piperazine Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C22H26N2O4S2/c1-16-12-19(27-2)20(28-3)13-22(16)30(25,26)24-10-8-23(9-11-24)14-17-15-29-21-7-5-4-6-18(17)21/h4-7,12-13,15H,8-11,14H2,1-3H3