N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]phenyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-keto-ethoxy]phenyl]-N-methyl-thiophene-2-sulfonamide Formula: C22H22N2O4S3 MolecularWeight: 474.61608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N2O4S3/c1-23(31(26,27)22-8-4-14-30-22)17-9-11-18(12-10-17)28-16-21(25)24-13-5-15-29-20-7-3-2-6-19(20)24/h2-4,6-12,14H,5,13,15-16H2,1H3