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

Systemtic Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide Openeye Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide CAS Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-[amino(methylimino)methyl]-3-methylsulfonylbenzamide IUPAC Name: 4-[4-(2-acetamidoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonylbenzamide Traditional Name: 4-[4-(2-acetamidoethyl)phenoxy]-3-mesyl-N-(N'-methylamidino)benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)NC(=NC)N)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)NC(=NC)N)S(=O)(=O)C

InChI

InChI=1S/C20H24N4O5S/c1-13(25)23-11-10-14-4-7-16(8-5-14)29-17-9-6-15(12-18(17)30(3,27)28)19(26)24-20(21)22-2/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H3,21,22,24,26)