5-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-pyrrolidinyl]-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]-[4-(diaminomethylideneamino)benzoyl]amino]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]-2-hydroxy-benzoic acid Formula: C28H28ClN5O6S MolecularWeight: 598.06982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N(CC2=CC(=C(C=C2)O)C(=O)O)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC1N(CC2=CC(=C(C=C2)O)C(=O)O)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28ClN5O6S/c29-21-6-1-18(2-7-21)12-14-41(39,40)33-13-11-23(17-33)34(16-19-3-10-25(35)24(15-19)27(37)38)26(36)20-4-8-22(9-5-20)32-28(30)31/h1-10,12,14-15,23,35H,11,13,16-17H2,(H,37,38)(H4,30,31,32)/b14-12+