2-[4-[bis(azanyl)methylideneamino]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butanoic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butanoic acid Openeye Name: 2-(4-guanidinosulfonyl-2-methyl-phenyl)-4-(4-methoxyphenyl)butanoic acid CAS Name: 2-[4-(diaminomethylideneamino)sulfonyl-2-methylphenyl]-4-(4-methoxyphenyl)butanoic acid IUPAC Name: 2-[4-(diaminomethylideneamino)sulfonyl-2-methylphenyl]-4-(4-methoxyphenyl)butanoic acid Traditional Name: 2-(4-guanidinosulfonyl-2-methyl-phenyl)-4-(4-methoxyphenyl)butyric acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-12-11-15(28(25,26)22-19(20)21)8-10-16(12)17(18(23)24)9-5-13-3-6-14(27-2)7-4-13/h3-4,6-8,10-11,17H,5,9H2,1-2H3,(H,23,24)(H4,20,21,22)