2-[[3,4-bis(azanyl)phenyl]methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3,4-bis(azanyl)phenyl]methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[(3,4-diaminophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[(3,4-diaminophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(3,4-diaminophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(3,4-diaminobenzyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-12(2)18(19(23)24)22(11-13-4-9-16(20)17(21)10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,18H,11,20-21H2,1-3H3,(H,23,24)