[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C20H18ClN3O6S2 MolecularWeight: 495.95642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3O6S2/c21-14-6-5-13(11-17(14)32(27,28)24-7-9-29-10-8-24)19(26)30-12-18(25)23-20-22-15-3-1-2-4-16(15)31-20/h1-6,11H,7-10,12H2,(H,22,23,25)