1-[(2-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-[(2-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-mesitylsulfonyl-4-(2-nitrobenzyl)piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15-12-16(2)20(17(3)13-15)28(26,27)22-10-8-21(9-11-22)14-18-6-4-5-7-19(18)23(24)25/h4-7,12-13H,8-11,14H2,1-3H3