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

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C20H28Cl2N4O4S2 MolecularWeight: 523.49672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C)CCSCC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

InChI

InChI=1S/C20H26N4O4S2.2ClH/c1-23(2)11-12-29-14-15-7-9-17(10-8-15)28-24(20(21)22)19(25)16-5-4-6-18(13-16)30(3,26)27;;/h4-10,13H,11-12,14H2,1-3H3,(H3,21,22);2*1H