4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-N,N-diethyl-3-oxidanylidene-1,4-benzothiazine-6-sulfonamide

Systemtic Name: 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-N,N-diethyl-3-oxidanylidene-1,4-benzothiazine-6-sulfonamide Openeye Name: 4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide CAS Name: 4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide IUPAC Name: 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide Traditional Name: 4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-N,N-diethyl-3-keto-1,4-benzothiazine-6-sulfonamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2CC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2CC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C21H31N3O4S2/c1-5-23(6-2)30(27,28)17-7-8-19-18(10-17)24(21(26)14-29-19)13-20(25)22-11-15(3)9-16(4)12-22/h7-8,10,15-16H,5-6,9,11-14H2,1-4H3