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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-24(2)22-23-19-12-9-17(15-20(19)30-22)29-21(26)16-7-10-18(11-8-16)31(27,28)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3