1-(4-chlorophenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(2-methoxy-5-nitro-benzyl)piperazine Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-27-18-7-4-16(22(23)24)12-14(18)13-20-8-10-21(11-9-20)28(25,26)17-5-2-15(19)3-6-17/h2-7,12H,8-11,13H2,1H3