1-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-[1-(3-nitrophenyl)ethyl]piperazino]sulfonylazepane Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H28N4O4S/c1-16(17-7-6-8-18(15-17)22(23)24)19-11-13-21(14-12-19)27(25,26)20-9-4-2-3-5-10-20/h6-8,15-16H,2-5,9-14H2,1H3