4-[[[1-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpyrrolidin-3-yl]-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpyrrolidin-3-yl]-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-[1-(4-guanidinobenzoyl)pyrrolidin-3-yl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[1-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]-3-pyrrolidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[1-[4-(diaminomethylideneamino)benzoyl]pyrrolidin-3-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-[1-(4-guanidinobenzoyl)pyrrolidin-3-yl]amino]methyl]benzoic acid Formula: C28H28ClN5O5S MolecularWeight: 582.07042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C=CC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)N=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN5O5S/c29-23-9-3-19(4-10-23)14-16-40(38,39)34(17-20-1-5-22(6-2-20)27(36)37)25-13-15-33(18-25)26(35)21-7-11-24(12-8-21)32-28(30)31/h1-12,14,16,25H,13,15,17-18H2,(H,36,37)(H4,30,31,32)/b16-14+