1-(4-chloranyl-2-nitro-phenyl)-4-[2-(phenylsulfonyl)ethyl]piperazine

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-[2-(phenylsulfonyl)ethyl]piperazine Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-4-(4-chloro-2-nitro-phenyl)piperazine CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-(4-chloro-2-nitrophenyl)piperazine IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-4-(4-chloro-2-nitrophenyl)piperazine Traditional Name: 1-(2-besylethyl)-4-(4-chloro-2-nitro-phenyl)piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c19-15-6-7-17(18(14-15)22(23)24)21-10-8-20(9-11-21)12-13-27(25,26)16-4-2-1-3-5-16/h1-7,14H,8-13H2