5-[5-[[2,6-bis(chloranyl)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-3-[(4-tert-butylphenyl)sulfonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-[[2,6-bis(chloranyl)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-3-[(4-tert-butylphenyl)sulfonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[(4-tert-butylphenyl)sulfonylamino]-5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]-5-[5-[(2,6-dichlorophenyl)methyl]-2-tetrazolyl]-4-oxopentanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)sulfonylamino]-5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-4-oxopentanoic acid Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]-5-[5-(2,6-dichlorobenzyl)tetrazol-2-yl]-4-keto-valeric acid Formula: C23H25Cl2N5O5S MolecularWeight: 554.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H25Cl2N5O5S/c1-23(2,3)14-7-9-15(10-8-14)36(34,35)28-19(12-22(32)33)20(31)13-30-27-21(26-29-30)11-16-17(24)5-4-6-18(16)25/h4-10,19,28H,11-13H2,1-3H3,(H,32,33)