1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine Traditional Name: 1-(3-nitrobenzyl)-4-tosyl-piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-15-5-7-18(8-6-15)26(24,25)20-11-9-19(10-12-20)14-16-3-2-4-17(13-16)21(22)23/h2-8,13H,9-12,14H2,1H3