[4-(2-methylsulfonylphenyl)phenyl] N-[(2-carbamimidoylphenyl)methyl]-N-phenyl-carbamate

Systemtic Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(2-carbamimidoylphenyl)methyl]-N-phenyl-carbamate Openeye Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(2-carbamimidoylphenyl)methyl]-N-phenyl-carbamate CAS Name: N-[(2-carbamimidoylphenyl)methyl]-N-phenylcarbamic acid [4-(2-methylsulfonylphenyl)phenyl] ester IUPAC Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(2-carbamimidoylphenyl)methyl]-N-phenylcarbamate Traditional Name: N-(2-amidinobenzyl)-N-phenyl-carbamic acid [4-(2-mesylphenyl)phenyl] ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)OC(=O)N(CC3=CC=CC=C3C(=N)N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)OC(=O)N(CC3=CC=CC=C3C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S/c1-36(33,34)26-14-8-7-12-24(26)20-15-17-23(18-16-20)35-28(32)31(22-10-3-2-4-11-22)19-21-9-5-6-13-25(21)27(29)30/h2-18H,19H2,1H3,(H3,29,30)