(2S)-1-(3-carbamimidoylphenyl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(3-carbamimidoylphenyl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(3-carbamimidoylbenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(3-carbamimidoylphenyl)-oxomethyl]-N-[4-(2-sulfamoylphenyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(3-carbamimidoylbenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(3-amidinobenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC(=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CC(=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C25H25N5O4S/c26-23(27)17-5-3-6-18(15-17)25(32)30-14-4-8-21(30)24(31)29-19-12-10-16(11-13-19)20-7-1-2-9-22(20)35(28,33)34/h1-3,5-7,9-13,15,21H,4,8,14H2,(H3,26,27)(H,29,31)(H2,28,33,34)/t21-/m0/s1