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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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