4-[4-(1-azanylethyl)phenoxy]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide

Systemtic Name: 4-[4-(1-azanylethyl)phenoxy]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide Openeye Name: 4-[4-(1-aminoethyl)phenoxy]-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-[4-(1-aminoethyl)phenoxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-[4-(1-aminoethyl)phenoxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-[4-(1-aminoethyl)phenoxy]-N-(diaminomethylene)-3-mesyl-benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)N

InChI

InChI=1S/C17H20N4O4S/c1-10(18)11-3-6-13(7-4-11)25-14-8-5-12(16(22)21-17(19)20)9-15(14)26(2,23)24/h3-10H,18H2,1-2H3,(H4,19,20,21,22)