N-[bis(azanyl)methylidene]-4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonyl-benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonyl-benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(2,6-dimethyl-1-piperidyl)-3-methylsulfonyl-benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(2,6-dimethyl-1-piperidinyl)-3-methylsulfonylbenzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonylbenzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(2,6-dimethylpiperidino)-3-mesyl-benzamide; mesylic acid Formula: C17H28N4O6S2 MolecularWeight: 448.55742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C.CS(=O)(=O)O

Isomeric SMILES

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C.CS(=O)(=O)O

InChI

InChI=1S/C16H24N4O3S.CH4O3S/c1-10-5-4-6-11(2)20(10)13-8-7-12(15(21)19-16(17)18)9-14(13)24(3,22)23;1-5(2,3)4/h7-11H,4-6H2,1-3H3,(H4,17,18,19,21);1H3,(H,2,3,4)