N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]methyl]benzenesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]methyl]benzenesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-thioxanthen-4-yl]methyl]benzenesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-thioxanthenyl]methyl]benzenesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxothioxanthen-4-yl]methyl]benzenesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-7-methoxy-thioxanthen-4-yl]methyl]benzenesulfonamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3)SC4=C(C2=O)C=C(C=C4)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3)SC4=C(C2=O)C=C(C=C4)OC

InChI

InChI=1S/C27H31N3O4S2/c1-4-30(5-2)16-15-28-23-13-11-19(18-29-36(32,33)21-9-7-6-8-10-21)27-25(23)26(31)22-17-20(34-3)12-14-24(22)35-27/h6-14,17,28-29H,4-5,15-16,18H2,1-3H3