methyl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonylpyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(3-amidinophenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

COC(=O)[C@H]1CN(C[C@@H]1C2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C25H26N4O6S2/c1-35-25(30)22-15-29(14-21(22)17-5-4-6-18(13-17)24(26)27)37(33,34)19-11-9-16(10-12-19)20-7-2-3-8-23(20)36(28,31)32/h2-13,21-22H,14-15H2,1H3,(H3,26,27)(H2,28,31,32)/t21-,22+/m1/s1