N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-1-[(3-carbamimidoylphenyl)amino]cyclopentane-1-carboxamide

Systemtic Name: N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-1-[(3-carbamimidoylphenyl)amino]cyclopentane-1-carboxamide Openeye Name: N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-1-(3-carbamimidoylanilino)cyclopentanecarboxamide CAS Name: N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-1-(3-carbamimidoylanilino)-1-cyclopentanecarboxamide IUPAC Name: N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-1-(3-carbamimidoylanilino)cyclopentane-1-carboxamide Traditional Name: 1-(3-amidinoanilino)-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]cyclopentanecarboxamide Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C3(CCCC3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C3(CCCC3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C29H35N5O3S/c1-28(2,3)34-38(36,37)25-12-5-4-11-24(25)20-13-15-22(16-14-20)32-27(35)29(17-6-7-18-29)33-23-10-8-9-21(19-23)26(30)31/h4-5,8-16,19,33-34H,6-7,17-18H2,1-3H3,(H3,30,31)(H,32,35)