1-(azepan-1-yl)-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O5S/c1-16-13-18(24(26)27)14-19(17(16)2)30(28,29)23-11-9-21(10-12-23)15-20(25)22-7-5-3-4-6-8-22/h13-14H,3-12,15H2,1-2H3