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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine Traditional Name: 1-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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