[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O4S2/c1-3-26(4-2)24-25-21-14-11-19(17-22(21)32-24)31-23(28)18-9-12-20(13-10-18)33(29,30)27-15-7-5-6-8-16-27/h9-14,17H,3-8,15-16H2,1-2H3