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

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-mesyl-benzamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S2/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)