4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-N-(4-chlorophenyl)-1-mesyl-pyrrolidine-2-carboxamide Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)Cl)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)Cl)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C19H21ClN4O4S/c1-29(26,27)24-11-16(28-15-4-2-3-12(9-15)18(21)22)10-17(24)19(25)23-14-7-5-13(20)6-8-14/h2-9,16-17H,10-11H2,1H3,(H3,21,22)(H,23,25)