1-[(3-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(m-tolylmethyl)piperazine CAS Name: 1-[(3-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(3-methylbenzyl)piperazine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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