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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

InChI

InChI=1S/C22H25N3O4S2/c1-15-10-12-25(13-11-15)31(27,28)18-7-4-16(5-8-18)21(26)29-17-6-9-19-20(14-17)30-22(23-19)24(2)3/h4-9,14-15H,10-13H2,1-3H3