N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-piperidin-1-yl-benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-piperidin-1-yl-benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-(1-piperidyl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(1-piperidinyl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-ylbenzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-3-mesyl-4-piperidino-benzamide; mesylic acid Formula: C15H24N4O6S2 MolecularWeight: 420.50426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCC2.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCC2.CS(=O)(=O)O

InChI

InChI=1S/C14H20N4O3S.CH4O3S/c1-22(20,21)12-9-10(13(19)17-14(15)16)5-6-11(12)18-7-3-2-4-8-18;1-5(2,3)4/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17,19);1H3,(H,2,3,4)