methyl 2-[6-acetamido-2-(4-piperidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(4-piperidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[4-(1-piperidylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-piperidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-piperidinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H26N4O6S2 MolecularWeight: 530.61644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CC(=O)OC

InChI

InChI=1S/C24H26N4O6S2/c1-16(29)25-18-8-11-20-21(14-18)35-24(28(20)15-22(30)34-2)26-23(31)17-6-9-19(10-7-17)36(32,33)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29)