1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c23-18(20-9-5-1-2-6-10-20)15-19-11-13-21(14-12-19)28(26,27)17-8-4-3-7-16(17)22(24)25/h3-4,7-8H,1-2,5-6,9-15H2