5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-prop-1-enyl]-2-methoxy-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]-2-methoxy-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]-2-methoxy-N,N-dimethylbenzenesulfonamide Traditional Name: 5-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-prop-1-enyl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C21H24N2O4S2/c1-22(2)29(25,26)20-15-16(9-11-18(20)27-3)10-12-21(24)23-13-6-14-28-19-8-5-4-7-17(19)23/h4-5,7-12,15H,6,13-14H2,1-3H3/b12-10+