1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C21H27N3O7S MolecularWeight: 465.51998

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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(=C(C=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7S/c1-15-5-7-17(24(25)26)13-19(15)32(27,28)23-11-9-22(10-12-23)14-16-6-8-18(29-2)21(31-4)20(16)30-3/h5-8,13H,9-12,14H2,1-4H3