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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=C(C=CC=C3Cl)Cl

InChI

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