2-hydroxyethyl 7-[2-[4-(1-oxidanylhexyl)phenyl]-2-(phenylsulfonyl)hydrazinyl]heptanoate

Systemtic Name: 2-hydroxyethyl 7-[2-[4-(1-oxidanylhexyl)phenyl]-2-(phenylsulfonyl)hydrazinyl]heptanoate Openeye Name: 2-hydroxyethyl 7-[2-(benzenesulfonyl)-2-[4-(1-hydroxyhexyl)phenyl]hydrazino]heptanoate CAS Name: 7-[2-(benzenesulfonyl)-2-[4-(1-hydroxyhexyl)phenyl]hydrazinyl]heptanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 7-[2-(benzenesulfonyl)-2-[4-(1-hydroxyhexyl)phenyl]hydrazinyl]heptanoate Traditional Name: 7-[N'-besyl-N'-[4-(1-hydroxyhexyl)phenyl]hydrazino]enanthic acid 2-hydroxyethyl ester Formula: C27H40N2O6S MolecularWeight: 520.6813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N(NCCCCCCC(=O)OCCO)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N(NCCCCCCC(=O)OCCO)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C27H40N2O6S/c1-2-3-7-14-26(31)23-16-18-24(19-17-23)29(36(33,34)25-12-8-6-9-13-25)28-20-11-5-4-10-15-27(32)35-22-21-30/h6,8-9,12-13,16-19,26,28,30-31H,2-5,7,10-11,14-15,20-22H2,1H3