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7-[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]heptanoic acid

7-[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]heptanoic acid

Systemtic Name:7-[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]heptanoic acid
Openeye Name:7-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]heptanoic acid
CAS Name:7-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]heptanoic acid
IUPAC Name:7-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]heptanoic acid
Traditional Name:7-[besyl-(4-tert-butylbenzyl)amino]enanthic acid
Formula: C24H33NO4S
MolecularWeight: 431.58812
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2


InChI

InChI=1S/C24H33NO4S/c1-24(2,3)21-16-14-20(15-17-21)19-25(18-10-5-4-9-13-23(26)27)30(28,29)22-11-7-6-8-12-22/h6-8,11-12,14-17H,4-5,9-10,13,18-19H2,1-3H3,(H,26,27)


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