[4-(2-methylsulfonylphenyl)phenyl] N-[(3-carbamimidoylphenyl)methyl]-N-propyl-carbamate

Systemtic Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(3-carbamimidoylphenyl)methyl]-N-propyl-carbamate Openeye Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(3-carbamimidoylphenyl)methyl]-N-propyl-carbamate CAS Name: N-[(3-carbamimidoylphenyl)methyl]-N-propylcarbamic acid [4-(2-methylsulfonylphenyl)phenyl] ester IUPAC Name: [4-(2-methylsulfonylphenyl)phenyl] N-[(3-carbamimidoylphenyl)methyl]-N-propylcarbamate Traditional Name: N-(3-amidinobenzyl)-N-propyl-carbamic acid [4-(2-mesylphenyl)phenyl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H27N3O4S/c1-3-15-28(17-18-7-6-8-20(16-18)24(26)27)25(29)32-21-13-11-19(12-14-21)22-9-4-5-10-23(22)33(2,30)31/h4-14,16H,3,15,17H2,1-2H3,(H3,26,27)