[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C19H28N4O7S2 MolecularWeight: 488.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H28N4O7S2/c1-15-4-5-17(23(25)26)14-18(15)32(29,30)22-10-6-16(7-11-22)19(24)20-8-3-9-21(13-12-20)31(2,27)28/h4-5,14,16H,3,6-13H2,1-2H3