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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(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(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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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)N5CCCC5

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)N5CCCC5

InChI

InChI=1S/C27H27N3O4S2/c1-2-30(19-20-8-4-3-5-9-20)36(32,33)23-13-10-21(11-14-23)26(31)34-22-12-15-24-25(18-22)35-27(28-24)29-16-6-7-17-29/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3