2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl ester Formula: C22H21ClN2O6S2 MolecularWeight: 508.99494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O6S2/c23-19-17-6-1-2-7-18(17)32-20(19)21(26)24-8-11-31-22(27)15-4-3-5-16(14-15)33(28,29)25-9-12-30-13-10-25/h1-7,14H,8-13H2,(H,24,26)