N-[4-[[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-[4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide CAS Name: N-[4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-[4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]methanesulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)NS(=O)(=O)C)C)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)NS(=O)(=O)C)C)O)C

InChI

InChI=1S/C18H21N3O3S2/c1-10-11(2)16(22)12(3)17-15(10)20-18(25-17)19-9-13-5-7-14(8-6-13)21-26(4,23)24/h5-8,21-22H,9H2,1-4H3,(H,19,20)