N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O5S2/c1-14-2-4-16(13-19(14)31(27,28)24-7-9-29-10-8-24)22-21(26)15-3-5-18-17(12-15)23-20(25)6-11-30-18/h2-5,12-13H,6-11H2,1H3,(H,22,26)(H,23,25)