1-(1-benzothiophen-3-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2-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)17-6-2-4-8-19(17)28(25,26)21-11-9-20(10-12-21)13-15-14-27-18-7-3-1-5-16(15)18/h1-8,14H,9-13H2