azepan-1-yl-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-piperidyl]methanone Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H34N4O5S/c28-23(25-12-4-1-2-5-13-25)19-10-16-24(17-11-19)21-9-8-20(18-22(21)27(29)30)33(31,32)26-14-6-3-7-15-26/h8-9,18-19H,1-7,10-17H2