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

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(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(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C28H29N3O4S2/c1-2-31(20-21-9-5-3-6-10-21)37(33,34)24-14-11-22(12-15-24)27(32)35-23-13-16-25-26(19-23)36-28(29-25)30-17-7-4-8-18-30/h3,5-6,9-16,19H,2,4,7-8,17-18,20H2,1H3