N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]-4-methylsulfonyl-butanamide

Systemtic Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]-4-methylsulfonyl-butanamide Openeye Name: N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-5-methoxy-3-methyl-phenyl]-4-methylsulfonyl-butanamide CAS Name: N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-5-methoxy-3-methylphenyl]-4-methylsulfonylbutanamide IUPAC Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methylphenyl]-4-methylsulfonylbutanamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-5-methoxy-3-methyl-phenyl]-4-mesyl-butyramide Formula: C25H29N3O6S4 MolecularWeight: 595.77426

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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)CCCS(=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)CCCS(=O)(=O)C)OC

InChI

InChI=1S/C25H29N3O6S4/c1-15-11-17(34-2)13-19(28-22(29)9-6-10-37(4,30)31)23(15)16-7-5-8-18(12-16)38(32,33)21-14-20(24(26)27)36-25(21)35-3/h5,7-8,11-14H,6,9-10H2,1-4H3,(H3,26,27)(H,28,29)