3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O7S2/c25-21(16-6-8-17(9-7-16)33(28,29)24-11-14-30-15-12-24)31-13-3-10-22-20-18-4-1-2-5-19(18)32(26,27)23-20/h1-2,4-9H,3,10-15H2,(H,22,23)