methyl 2-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C23H25N3O5S2/c1-14-12-15(2)20-18(13-14)32-23(24-20)25-21(27)16-8-10-26(11-9-16)33(29,30)19-7-5-4-6-17(19)22(28)31-3/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,27)