N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-2-methylsulfonyl-ethanamide

Systemtic Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-2-methylsulfonyl-ethanamide Openeye Name: N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-2-methylsulfonyl-acetamide CAS Name: N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-2-methylsulfonylacetamide IUPAC Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-2-methylsulfonylacetamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-2-mesyl-acetamide Formula: C22H23N3O5S4 MolecularWeight: 537.69512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CS(=O)(=O)C)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CS(=O)(=O)C)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C22H23N3O5S4/c1-13-6-4-9-16(25-19(26)12-33(3,27)28)20(13)14-7-5-8-15(10-14)34(29,30)18-11-17(21(23)24)32-22(18)31-2/h4-11H,12H2,1-3H3,(H3,23,24)(H,25,26)