1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(4-chloro-2-nitro-phenyl)piperazine CAS Name: 1-(4-chloro-2-nitrophenyl)-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(4-chloro-2-nitrophenyl)piperazine Traditional Name: 1-benzylsulfonyl-4-(4-chloro-2-nitro-phenyl)piperazine Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18ClN3O4S/c18-15-6-7-16(17(12-15)21(22)23)19-8-10-20(11-9-19)26(24,25)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2