N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide dihydrochloride

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-[(1-methyl-1-pyrrolidin-2-yl-ethyl)sulfamoyl]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[2-(2-pyrrolidinyl)propan-2-ylsulfamoyl]phenoxy]benzamide dihydrochloride IUPAC Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide dihydrochloride Traditional Name: N-amidino-3-mesyl-N-[4-[(1-methyl-1-pyrrolidin-2-yl-ethyl)sulfamoyl]phenoxy]benzamide dihydrochloride Formula: C22H31Cl2N5O6S2 MolecularWeight: 596.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCN1)NS(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)(C1CCCN1)NS(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=N)N.Cl.Cl

InChI

InChI=1S/C22H29N5O6S2.2ClH/c1-22(2,19-8-5-13-25-19)26-35(31,32)17-11-9-16(10-12-17)33-27(21(23)24)20(28)15-6-4-7-18(14-15)34(3,29)30;;/h4,6-7,9-12,14,19,25-26H,5,8,13H2,1-3H3,(H3,23,24);2*1H