[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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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)N4CC(CC(C4)C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C25H31N3O4S2/c1-5-27(6-2)25-26-22-12-9-20(14-23(22)33-25)32-24(29)19-7-10-21(11-8-19)34(30,31)28-15-17(3)13-18(4)16-28/h7-12,14,17-18H,5-6,13,15-16H2,1-4H3