ethyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H28N4O7S2 MolecularWeight: 560.64242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C25H28N4O7S2/c1-4-36-23(30)15-28-21-10-7-19(29(32)33)12-22(21)37-25(28)26-24(31)18-5-8-20(9-6-18)38(34,35)27-13-16(2)11-17(3)14-27/h5-10,12,16-17H,4,11,13-15H2,1-3H3