(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-[benzyl(methyl)sulfamoyl]benzoate CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[benzyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(methyl)sulfamoyl]benzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

InChI

InChI=1S/C27H27N3O4S2/c1-29(19-20-8-4-2-5-9-20)36(32,33)23-13-10-21(11-14-23)26(31)34-22-12-15-24-25(18-22)35-27(28-24)30-16-6-3-7-17-30/h2,4-5,8-15,18H,3,6-7,16-17,19H2,1H3