2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-one Formula: C19H26N6O5S MolecularWeight: 450.51194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CN3C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CN3C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C19H26N6O5S/c1-15-6-7-16(25(27)28)13-17(15)31(29,30)22-11-9-21(10-12-22)14-24-19(26)23-8-4-2-3-5-18(23)20-24/h6-7,13H,2-5,8-12,14H2,1H3