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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(m-tolylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-methylbenzyl)-4-nosyl-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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