N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide Openeye Name: N-carbamimidoyl-N-[4-[(1-methyl-2-pyrrolidin-2-yl-ethyl)sulfamoyl]phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[1-(2-pyrrolidinyl)propan-2-ylsulfamoyl]phenoxy]benzamide IUPAC Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylsulfamoyl)phenoxy]benzamide Traditional Name: N-amidino-3-mesyl-N-[4-[(1-methyl-2-pyrrolidin-2-yl-ethyl)sulfamoyl]phenoxy]benzamide Formula: C22H29N5O6S2 MolecularWeight: 523.62556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCN1)NS(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=N)N

Isomeric SMILES

CC(CC1CCCN1)NS(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=N)N

InChI

InChI=1S/C22H29N5O6S2/c1-15(13-17-6-4-12-25-17)26-35(31,32)19-10-8-18(9-11-19)33-27(22(23)24)21(28)16-5-3-7-20(14-16)34(2,29)30/h3,5,7-11,14-15,17,25-26H,4,6,12-13H2,1-2H3,(H3,23,24)