(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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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)N5CCCCC5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

InChI

InChI=1S/C25H29N3O4S2/c1-18-11-15-28(16-12-18)34(30,31)21-8-5-19(6-9-21)24(29)32-20-7-10-22-23(17-20)33-25(26-22)27-13-3-2-4-14-27/h5-10,17-18H,2-4,11-16H2,1H3