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

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

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

Isomeric SMILES

CC1CCCN(C1)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/c1-15-5-4-12-25(14-15)31(27,28)18-9-6-16(7-10-18)21(26)29-17-8-11-19-20(13-17)30-22(23-19)24(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3