N-[(E)-N'-chloranylcarbamimidoyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzamide

Systemtic Name: N-[(E)-N'-chloranylcarbamimidoyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-[(E)-N'-chlorocarbamimidoyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-[(E)-amino(chloroimino)methyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-[(E)-N'-chlorocarbamimidoyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-[(E)-N'-chloroamidino]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-mesyl-benzamide Formula: C19H23ClN4O4S MolecularWeight: 438.92832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)NC(=NCl)N)S(=O)(=O)C

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N/C(=N/Cl)/N)S(=O)(=O)C

InChI

InChI=1S/C19H23ClN4O4S/c1-24(2)11-10-13-4-7-15(8-5-13)28-16-9-6-14(12-17(16)29(3,26)27)18(25)22-19(21)23-20/h4-9,12H,10-11H2,1-3H3,(H3,21,22,23,25)