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

Systemtic Name: 3-azanyl-1-[4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-piperidin-1-yl]propan-1-one hydrochloride Openeye Name: 3-amino-1-[4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-1-piperidyl]propan-1-one hydrochloride CAS Name: 3-amino-1-[4-methyl-2-[(7-nitro-2-dibenzofuranyl)sulfonyl]-1-piperidinyl]-1-propanone hydrochloride IUPAC Name: 3-amino-1-[4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonylpiperidin-1-yl]propan-1-one hydrochloride Traditional Name: 3-amino-1-[4-methyl-2-(7-nitrodibenzofuran-2-yl)sulfonyl-piperidino]propan-1-one hydrochloride Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)CCN.Cl

Isomeric SMILES

CC1CCN(C(C1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)CCN.Cl

InChI

InChI=1S/C21H23N3O6S.ClH/c1-13-7-9-23(20(25)6-8-22)21(10-13)31(28,29)15-3-5-18-17(12-15)16-4-2-14(24(26)27)11-19(16)30-18;/h2-5,11-13,21H,6-10,22H2,1H3;1H