1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(2-nitrobenzyl)piperazino]sulfonylazepane Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c22-21(23)17-8-4-3-7-16(17)15-18-11-13-20(14-12-18)26(24,25)19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-15H2