N-carbamimidoyl-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide

Systemtic Name: N-carbamimidoyl-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-carbamimidoyl-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-carbamimidoyl-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-(2-diethylaminoethylsulfamoyl)phenoxy]-3-mesyl-benzamide Formula: C21H29N5O6S2 MolecularWeight: 511.61486

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N

Isomeric SMILES

CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N

InChI

InChI=1S/C21H29N5O6S2/c1-4-25(5-2)14-13-24-34(30,31)18-11-9-17(10-12-18)32-26(21(22)23)20(27)16-7-6-8-19(15-16)33(3,28)29/h6-12,15,24H,4-5,13-14H2,1-3H3,(H3,22,23)