ethyl 7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[4-[3-(hydroxymethyl)-2-thienyl]phenyl]methyl-methylsulfonyl-amino]heptanoate CAS Name: 7-[[4-[3-(hydroxymethyl)-2-thiophenyl]phenyl]methyl-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonylamino]heptanoate Traditional Name: 7-[mesyl-[4-(3-methylol-2-thienyl)benzyl]amino]enanthic acid ethyl ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C2=C(C=CS2)CO)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C2=C(C=CS2)CO)S(=O)(=O)C

InChI

InChI=1S/C22H31NO5S2/c1-3-28-21(25)8-6-4-5-7-14-23(30(2,26)27)16-18-9-11-19(12-10-18)22-20(17-24)13-15-29-22/h9-13,15,24H,3-8,14,16-17H2,1-2H3