1-[2-azanyl-4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-piperidin-1-yl]propan-1-one

Systemtic Name: 1-[2-azanyl-4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-piperidin-1-yl]propan-1-one Openeye Name: 1-[2-amino-4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-1-piperidyl]propan-1-one CAS Name: 1-[2-amino-4-methyl-2-[(7-nitro-2-dibenzofuranyl)sulfonyl]-1-piperidinyl]-1-propanone IUPAC Name: 1-[2-amino-4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonylpiperidin-1-yl]propan-1-one Traditional Name: 1-[2-amino-4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-piperidino]propan-1-one Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(CC1(N)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)N1CCC(CC1(N)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6S/c1-3-20(25)23-9-8-13(2)12-21(23,22)31(28,29)15-5-7-18-17(11-15)16-6-4-14(24(26)27)10-19(16)30-18/h4-7,10-11,13H,3,8-9,12,22H2,1-2H3