1-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]piperazine CAS Name: 1-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine Traditional Name: 1-benzyl-4-[2-nitro-5-(4-tosylpiperazino)phenyl]piperazine Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O4S/c1-23-7-10-26(11-8-23)38(36,37)32-19-17-30(18-20-32)25-9-12-27(33(34)35)28(21-25)31-15-13-29(14-16-31)22-24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3