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

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(ethyl)sulfamoyl]benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCCC4

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S2/c1-3-5-17-28(4-2)34(30,31)21-12-9-19(10-13-21)24(29)32-20-11-14-22-23(18-20)33-25(26-22)27-15-7-6-8-16-27/h9-14,18H,3-8,15-17H2,1-2H3