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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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