2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC2=C(C=C1)N=CN2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CC2=C(C=C1)N=CN2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3O5S/c1-13(2)19(20(24)25)23(11-14-4-9-17-18(10-14)22-12-21-17)29(26,27)16-7-5-15(28-3)6-8-16/h4-10,12-13,19H,11H2,1-3H3,(H,21,22)(H,24,25)