1-(3-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-(3-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(3-nitrophenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-28-18-8-7-15(19(29-2)20(18)30-3)14-21-9-11-22(12-10-21)31(26,27)17-6-4-5-16(13-17)23(24)25/h4-8,13H,9-12,14H2,1-3H3