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

Systemtic Name: ethyl 2-[6-acetamido-2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C27H32N4O6S2 MolecularWeight: 572.69618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)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)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C27H32N4O6S2/c1-5-37-25(33)16-31-23-11-8-21(28-19(4)32)13-24(23)38-27(31)29-26(34)20-6-9-22(10-7-20)39(35,36)30-14-17(2)12-18(3)15-30/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,28,32)