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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H27ClN4O5S MolecularWeight: 458.95948

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O5S/c1-15-17(20)12-16(13-18(15)24(26)27)30(28,29)23-10-8-21(9-11-23)14-19(25)22-6-4-2-3-5-7-22/h12-13H,2-11,14H2,1H3