1-(azepan-1-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H28N4O5S/c1-16-6-7-17(23(25)26)14-18(16)29(27,28)22-12-10-20(11-13-22)15-19(24)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13,15H2,1H3