7-[methylsulfonyl-[3-(5-methylthiophen-2-yl)propyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[3-(5-methylthiophen-2-yl)propyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[3-(5-methyl-2-thienyl)propyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[3-(5-methyl-2-thiophenyl)propyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[3-(5-methylthiophen-2-yl)propyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[3-(5-methyl-2-thienyl)propyl]amino]enanthic acid Formula: C16H27NO4S2 MolecularWeight: 361.51988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(S1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C16H27NO4S2/c1-14-10-11-15(22-14)8-7-13-17(23(2,20)21)12-6-4-3-5-9-16(18)19/h10-11H,3-9,12-13H2,1-2H3,(H,18,19)