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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methoxy-benzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H22ClN3O5S/c1-14-3-5-17(23(24)25)12-19(14)29(26,27)22-9-7-21(8-10-22)13-15-11-16(20)4-6-18(15)28-2/h3-6,11-12H,7-10,13H2,1-2H3