1-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]sulfonylazepane

Systemtic Name: 1-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]sulfonylazepane Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(4-benzylpiperazino)-3-nitro-phenyl]sulfonylazepane Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S/c28-27(29)23-18-21(32(30,31)26-12-6-1-2-7-13-26)10-11-22(23)25-16-14-24(15-17-25)19-20-8-4-3-5-9-20/h3-5,8-11,18H,1-2,6-7,12-17,19H2