1-methyl-4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[3-nitro-4-[4-(o-tolylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[4-(2-methylbenzyl)piperazino]-3-nitro-phenyl]sulfonyl-piperazine Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4S/c1-19-5-3-4-6-20(19)18-25-11-13-26(14-12-25)22-8-7-21(17-23(22)28(29)30)33(31,32)27-15-9-24(2)10-16-27/h3-8,17H,9-16,18H2,1-2H3