N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]-6-methylsulfonyl-hexanamide

Systemtic Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]-6-methylsulfonyl-hexanamide Openeye Name: N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-5-methoxy-3-methyl-phenyl]-6-methylsulfonyl-hexanamide CAS Name: N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-5-methoxy-3-methylphenyl]-6-methylsulfonylhexanamide IUPAC Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methylphenyl]-6-methylsulfonylhexanamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-5-methoxy-3-methyl-phenyl]-6-mesyl-hexanamide Formula: C27H33N3O6S4 MolecularWeight: 623.82742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)CCCCCS(=O)(=O)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)CCCCCS(=O)(=O)C)OC

InChI

InChI=1S/C27H33N3O6S4/c1-17-13-19(36-2)15-21(30-24(31)11-6-5-7-12-39(4,32)33)25(17)18-9-8-10-20(14-18)40(34,35)23-16-22(26(28)29)38-27(23)37-3/h8-10,13-16H,5-7,11-12H2,1-4H3,(H3,28,29)(H,30,31)