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1-[3-nitro-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]sulfonylazepane
1-[3-nitro-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]sulfonylazepane
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCN4CCCC4)[N+](=O)[O-]
Isomeric SMILES
C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCN4CCCC4)[N+](=O)[O-]
InChI
InChI=1S/C22H35N5O4S/c28-27(29)22-19-20(32(30,31)26-11-3-1-2-4-12-26)7-8-21(22)25-17-15-24(16-18-25)14-13-23-9-5-6-10-23/h7-8,19H,1-6,9-18H2
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