7-[methylsulfonyl-[(4-phenylthiophen-2-yl)methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[(4-phenylthiophen-2-yl)methyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[(4-phenyl-2-thienyl)methyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[(4-phenyl-2-thiophenyl)methyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[(4-phenylthiophen-2-yl)methyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[(4-phenyl-2-thienyl)methyl]amino]enanthic acid Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO4S2/c1-26(23,24)20(12-8-3-2-7-11-19(21)22)14-18-13-17(15-25-18)16-9-5-4-6-10-16/h4-6,9-10,13,15H,2-3,7-8,11-12,14H2,1H3,(H,21,22)