2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H28N4O7S2 MolecularWeight: 512.59962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCOC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCOC)C

InChI

InChI=1S/C21H28N4O7S2/c1-14-8-15(2)11-23(10-14)20(27)13-34(30,31)12-19(26)22-21-24(6-7-32-3)17-5-4-16(25(28)29)9-18(17)33-21/h4-5,9,14-15H,6-8,10-13H2,1-3H3