1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-chloro-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-chloro-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(4-chloro-3-nitro-phenyl)sulfonyl-piperazine Formula: C17H18ClN3O4S MolecularWeight: 395.86052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c18-16-7-6-15(12-17(16)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