2-[(4-carbamimidoylphenyl)amino]-2-[4-(2-chloranyl-1-phenyl-ethoxy)-3-methoxy-phenyl]-N-propylsulfonyl-ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(2-chloranyl-1-phenyl-ethoxy)-3-methoxy-phenyl]-N-propylsulfonyl-ethanamide Openeye Name: 2-(4-carbamimidoylanilino)-2-[4-(2-chloro-1-phenyl-ethoxy)-3-methoxy-phenyl]-N-propylsulfonyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(2-chloro-1-phenylethoxy)-3-methoxyphenyl]-N-propylsulfonylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4-(2-chloro-1-phenylethoxy)-3-methoxyphenyl]-N-propylsulfonylacetamide Traditional Name: 2-(4-amidinoanilino)-2-[4-(2-chloro-1-phenyl-ethoxy)-3-methoxy-phenyl]-N-propylsulfonyl-acetamide Formula: C27H31ClN4O5S MolecularWeight: 559.07684

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(=O)C(C1=CC(=C(C=C1)OC(CCl)C2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCS(=O)(=O)NC(=O)C(C1=CC(=C(C=C1)OC(CCl)C2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H31ClN4O5S/c1-3-15-38(34,35)32-27(33)25(31-21-12-9-19(10-13-21)26(29)30)20-11-14-22(23(16-20)36-2)37-24(17-28)18-7-5-4-6-8-18/h4-14,16,24-25,31H,3,15,17H2,1-2H3,(H3,29,30)(H,32,33)