1-(2-chloranyl-6-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(2-chloranyl-6-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(2-chloro-6-nitro-phenyl)piperazine CAS Name: 1-(2-chloro-6-nitrophenyl)-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(2-chloro-6-nitrophenyl)piperazine Traditional Name: 1-benzylsulfonyl-4-(2-chloro-6-nitro-phenyl)piperazine Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

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