2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3O4S3/c1-13(29-20-23-17-12-14(21)2-7-18(17)30-20)19(25)22-15-3-5-16(6-4-15)31(26,27)24-8-10-28-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,25)