N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(phenylmethyl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(phenylmethyl)benzamide hydrochloride Openeye Name: 4-benzyl-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(phenylmethyl)benzamide hydrochloride IUPAC Name: 4-benzyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-benzyl-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)CC2=CC=CC=C2.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H17N3O3S.ClH/c1-23(21,22)14-10-13(15(20)19-16(17)18)8-7-12(14)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3,(H4,17,18,19,20);1H