1-(1-benzothiophen-3-ylmethyl)-4-(4-chloranyl-2-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-chloranyl-2-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(4-chloro-2-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(4-chloro-2-nitro-phenyl)sulfonyl-piperazine Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S2/c20-15-5-6-19(17(11-15)23(24)25)29(26,27)22-9-7-21(8-10-22)12-14-13-28-18-4-2-1-3-16(14)18/h1-6,11,13H,7-10,12H2