4-[4-(2-azanylethyl)phenoxy]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzamide

Systemtic Name: 4-[4-(2-azanylethyl)phenoxy]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzamide Openeye Name: 4-[4-(2-aminoethyl)phenoxy]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzamide CAS Name: 4-[4-(2-aminoethyl)phenoxy]-N-[(E)-amino(methylsulfonylimino)methyl]benzamide IUPAC Name: 4-[4-(2-aminoethyl)phenoxy]-N-[(E)-N'-methylsulfonylcarbamimidoyl]benzamide Traditional Name: 4-[4-(2-aminoethyl)phenoxy]-N-[(E)-N'-mesylamidino]benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CCN

InChI

InChI=1S/C17H20N4O4S/c1-26(23,24)21-17(19)20-16(22)13-4-8-15(9-5-13)25-14-6-2-12(3-7-14)10-11-18/h2-9H,10-11,18H2,1H3,(H3,19,20,21,22)