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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[benzyl(methyl)sulfamoyl]benzoate CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[benzyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(methyl)sulfamoyl]benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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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)N5CCCC5

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)N5CCCC5

InChI

InChI=1S/C26H25N3O4S2/c1-28(18-19-7-3-2-4-8-19)35(31,32)22-12-9-20(10-13-22)25(30)33-21-11-14-23-24(17-21)34-26(27-23)29-15-5-6-16-29/h2-4,7-14,17H,5-6,15-16,18H2,1H3