4-[4-(2-azanylethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide

Systemtic Name: 4-[4-(2-azanylethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide Openeye Name: 4-[4-(2-aminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide CAS Name: 4-[4-(2-aminoethyl)phenoxy]-N-[amino(methylimino)methyl]-3-methylsulfonylbenzamide IUPAC Name: 4-[4-(2-aminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonylbenzamide Traditional Name: 4-[4-(2-aminoethyl)phenoxy]-3-mesyl-N-(N'-methylamidino)benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN)S(=O)(=O)C

Isomeric SMILES

CN=C(N)NC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN)S(=O)(=O)C

InChI

InChI=1S/C18H22N4O4S/c1-21-18(20)22-17(23)13-5-8-15(16(11-13)27(2,24)25)26-14-6-3-12(4-7-14)9-10-19/h3-8,11H,9-10,19H2,1-2H3,(H3,20,21,22,23)