1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C31H31Cl2N5O4S MolecularWeight: 640.57994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCC5=CC=C(C=C5)C(=N)N)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCC5=CC=C(C=C5)C(=N)N)Cl)C

InChI

InChI=1S/C31H31Cl2N5O4S/c1-18-15-19(2)37-29-22(18)5-3-7-26(29)42-17-23-24(32)12-13-27(28(23)33)43(40,41)38-14-4-6-25(38)31(39)36-16-20-8-10-21(11-9-20)30(34)35/h3,5,7-13,15,25H,4,6,14,16-17H2,1-2H3,(H3,34,35)(H,36,39)