1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(4-methoxyphenyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(4-methoxyphenyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-14-3-8-17(13-18(14)21(22)23)27(24,25)20-11-9-19(10-12-20)15-4-6-16(26-2)7-5-15/h3-8,13H,9-12H2,1-2H3