N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[(phenylmethyl)amino]benzamide; ethanoic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[(phenylmethyl)amino]benzamide; ethanoic acid Openeye Name: acetic acid; 4-(benzylamino)-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: acetic acid; N-(diaminomethylidene)-3-methylsulfonyl-4-[(phenylmethyl)amino]benzamide IUPAC Name: acetic acid; 4-(benzylamino)-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: acetic acid; 4-(benzylamino)-N-(diaminomethylene)-3-mesyl-benzamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O.CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)NCC2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3S.C2H4O2/c1-24(22,23)14-9-12(15(21)20-16(17)18)7-8-13(14)19-10-11-5-3-2-4-6-11;1-2(3)4/h2-9,19H,10H2,1H3,(H4,17,18,20,21);1H3,(H,3,4)