1-[(2-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(o-tolylmethyl)piperazine CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(2-methylbenzyl)piperazine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-15-5-3-4-6-16(15)14-20-9-11-21(12-10-20)18-8-7-17(27(2,25)26)13-19(18)22(23)24/h3-8,13H,9-12,14H2,1-2H3