N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline; methanesulfonamide

Systemtic Name: N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline; methanesulfonamide Openeye Name: N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline; methanesulfonamide CAS Name: N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline; methanesulfonamide IUPAC Name: N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline; methanesulfonamide Traditional Name: diethyl-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amine; methanesulfonamide Formula: C20H30N4O4S3 MolecularWeight: 486.6716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C.CS(=O)(=O)N.CS(=O)(=O)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C.CS(=O)(=O)N.CS(=O)(=O)N

InChI

InChI=1S/C18H20N2S.2CH5NO2S/c1-4-20(5-2)15-9-7-14(8-10-15)18-19-16-11-6-13(3)12-17(16)21-18;2*1-5(2,3)4/h6-12H,4-5H2,1-3H3;2*1H3,(H2,2,3,4)