N-carbamimidoyl-N-[4-(2-dimethylaminoethyl)-3-methylsulfonyl-phenoxy]benzamide; methanesulfonic acid

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethyl)-3-methylsulfonyl-phenoxy]benzamide; methanesulfonic acid Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethyl)-3-methylsulfonyl-phenoxy]benzamide; methanesulfonic acid CAS Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethyl)-3-methylsulfonylphenoxy]benzamide; methanesulfonic acid IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethyl)-3-methylsulfonylphenoxy]benzamide; methanesulfonic acid Traditional Name: N-amidino-N-[4-(2-dimethylaminoethyl)-3-mesyl-phenoxy]benzamide; mesylic acid Formula: C21H32N4O10S3 MolecularWeight: 596.69458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=C(C=C1)ON(C(=O)C2=CC=CC=C2)C(=N)N)S(=O)(=O)C.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1=C(C=C(C=C1)ON(C(=O)C2=CC=CC=C2)C(=N)N)S(=O)(=O)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C19H24N4O4S.2CH4O3S/c1-22(2)12-11-14-9-10-16(13-17(14)28(3,25)26)27-23(19(20)21)18(24)15-7-5-4-6-8-15;2*1-5(2,3)4/h4-10,13H,11-12H2,1-3H3,(H3,20,21);2*1H3,(H,2,3,4)