4-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)butyramide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O5S2/c1-29-19-10-9-16(32(27,28)25-11-13-30-14-12-25)15-18(19)23-21(26)7-4-8-22-24-17-5-2-3-6-20(17)31-22/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3,(H,23,26)