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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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