3-azanyl-5-(diethylamino)-N-methyl-2-(9-oxidanylidenethioxanthen-4-yl)pentane-2-sulfonamide

Systemtic Name: 3-azanyl-5-(diethylamino)-N-methyl-2-(9-oxidanylidenethioxanthen-4-yl)pentane-2-sulfonamide Openeye Name: 3-amino-5-(diethylamino)-N-methyl-2-(9-oxothioxanthen-4-yl)pentane-2-sulfonamide CAS Name: 3-amino-5-(diethylamino)-N-methyl-2-(9-oxo-4-thioxanthenyl)-2-pentanesulfonamide IUPAC Name: 3-amino-5-(diethylamino)-N-methyl-2-(9-oxothioxanthen-4-yl)pentane-2-sulfonamide Traditional Name: 3-amino-5-(diethylamino)-2-(9-ketothioxanthen-4-yl)-N-methyl-pentane-2-sulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C(C)(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)S(=O)(=O)NC)N

Isomeric SMILES

CCN(CC)CCC(C(C)(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)S(=O)(=O)NC)N

InChI

InChI=1S/C23H31N3O3S2/c1-5-26(6-2)15-14-20(24)23(3,31(28,29)25-4)18-12-9-11-17-21(27)16-10-7-8-13-19(16)30-22(17)18/h7-13,20,25H,5-6,14-15,24H2,1-4H3