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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

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