N-carbamimidoyl-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoyl-benzamide; methanesulfonic acid

Systemtic Name: N-carbamimidoyl-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoyl-benzamide; methanesulfonic acid Openeye Name: N-carbamimidoyl-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoyl-benzamide; methanesulfonic acid CAS Name: N-carbamimidoyl-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoylbenzamide; methanesulfonic acid IUPAC Name: N-carbamimidoyl-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoylbenzamide; methanesulfonic acid Traditional Name: N-amidino-4-(2-dimethylaminoethyl)-N-phenoxy-3-sulfamoyl-benzamide; mesylic acid Formula: C20H31N5O10S3 MolecularWeight: 597.68264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=C(C=C1)C(=O)N(C(=N)N)OC2=CC=CC=C2)S(=O)(=O)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1=C(C=C(C=C1)C(=O)N(C(=N)N)OC2=CC=CC=C2)S(=O)(=O)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H23N5O4S.2CH4O3S/c1-22(2)11-10-13-8-9-14(12-16(13)28(21,25)26)17(24)23(18(19)20)27-15-6-4-3-5-7-15;2*1-5(2,3)4/h3-9,12H,10-11H2,1-2H3,(H3,19,20)(H2,21,25,26);2*1H3,(H,2,3,4)