2-[4-[bis(azanyl)methylideneamino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(4-guanidinosulfonyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(diaminomethylideneamino)sulfonyl-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(diaminomethylideneamino)sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(4-guanidinosulfonyl-2-methyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N=C(N)N)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N=C(N)N)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C22H28N4O4S/c1-15-14-18(31(29,30)25-22(23)24)9-11-19(15)20(21(27)28)10-6-16-4-7-17(8-5-16)26-12-2-3-13-26/h4-5,7-9,11,14,20H,2-3,6,10,12-13H2,1H3,(H,27,28)(H4,23,24,25)