N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]-4-methoxy-N-methyl-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]-4-methoxy-N-methyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]-4-methoxy-N-methyl-benzenesulfonamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-keto-butyl]-4-methoxy-N-methyl-benzenesulfonamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCCSC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCCC(=O)N1CCCSC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-22(29(25,26)18-12-10-17(27-2)11-13-18)14-5-9-21(24)23-15-6-16-28-20-8-4-3-7-19(20)23/h3-4,7-8,10-13H,5-6,9,14-16H2,1-2H3