4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-benzamide

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-benzamide Openeye Name: 4-(4-amino-1-piperidyl)-N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-benzamide CAS Name: 4-(4-amino-1-piperidinyl)-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide IUPAC Name: 4-(4-aminopiperidin-1-yl)-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide Traditional Name: 4-(4-aminopiperidino)-N-(diaminomethylene)-2-ethyl-5-mesyl-benzamide Formula: C16H25N5O3S MolecularWeight: 367.4664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)N

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCC(CC2)N

InChI

InChI=1S/C16H25N5O3S/c1-3-10-8-13(21-6-4-11(17)5-7-21)14(25(2,23)24)9-12(10)15(22)20-16(18)19/h8-9,11H,3-7,17H2,1-2H3,(H4,18,19,20,22)