7-[3-(3-methylphenyl)propyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[3-(3-methylphenyl)propyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[3-(m-tolyl)propyl]amino]heptanoic acid CAS Name: 7-[3-(3-methylphenyl)propyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[3-(3-methylphenyl)propyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[3-(m-tolyl)propyl]amino]enanthic acid Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H29NO4S/c1-16-9-7-10-17(15-16)11-8-14-19(24(2,22)23)13-6-4-3-5-12-18(20)21/h7,9-10,15H,3-6,8,11-14H2,1-2H3,(H,20,21)