[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-methylpiperidino)sulfonylbenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C24H29N3O4S2/c1-4-26(5-2)24-25-21-13-10-19(15-22(21)32-24)31-23(28)18-8-11-20(12-9-18)33(29,30)27-14-6-7-17(3)16-27/h8-13,15,17H,4-7,14,16H2,1-3H3