1-(1-benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c23-22(24)16-4-3-5-17(12-16)28(25,26)21-10-8-20(9-11-21)13-15-14-27-19-7-2-1-6-18(15)19/h1-7,12,14H,8-11,13H2