3-azanyl-2-(2-diethylaminoethyl)-4-methoxy-6-methyl-5-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-4-methoxy-6-methyl-5-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide Openeye Name: 3-amino-2-(2-diethylaminoethyl)-4-methoxy-6-methyl-5-(9-oxothioxanthen-4-yl)benzenesulfonamide CAS Name: 3-amino-2-(2-diethylaminoethyl)-4-methoxy-6-methyl-5-(9-oxo-4-thioxanthenyl)benzenesulfonamide IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-4-methoxy-6-methyl-5-(9-oxothioxanthen-4-yl)benzenesulfonamide Traditional Name: 3-amino-2-(2-diethylaminoethyl)-5-(9-ketothioxanthen-4-yl)-4-methoxy-6-methyl-benzenesulfonamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=C(C(=C1N)OC)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)C)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCC1=C(C(=C(C(=C1N)OC)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)C)S(=O)(=O)N

InChI

InChI=1S/C27H31N3O4S2/c1-5-30(6-2)15-14-19-23(28)25(34-4)22(16(3)27(19)36(29,32)33)18-11-9-12-20-24(31)17-10-7-8-13-21(17)35-26(18)20/h7-13H,5-6,14-15,28H2,1-4H3,(H2,29,32,33)