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

Systemtic Name: 1-methyl-4-[2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]piperazine Openeye Name: 1-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-piperazine CAS Name: 1-methyl-4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]piperazine IUPAC Name: 1-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylpiperazine Traditional Name: 1-[5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-4-methyl-piperazine Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c1-23-9-11-25(12-10-23)22-17-20(7-8-21(22)27(28)29)24-13-15-26(16-14-24)32(30,31)18-19-5-3-2-4-6-19/h2-8,17H,9-16,18H2,1H3