N,N-diethyl-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]-3-nitro-benzenesulfonamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(SC3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(SC3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S2/c1-4-23(5-2)33(29,30)17-10-11-20(19(14-17)25(27)28)31-15-22(26)24-13-12-16(3)32-21-9-7-6-8-18(21)24/h6-11,14,16H,4-5,12-13,15H2,1-3H3