4-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-(m-tolylmethyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(3-methylbenzyl)piperazino]-3-nitro-phenyl]sulfonylmorpholine Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-18-3-2-4-19(15-18)17-23-7-9-24(10-8-23)21-6-5-20(16-22(21)26(27)28)32(29,30)25-11-13-31-14-12-25/h2-6,15-16H,7-14,17H2,1H3