6-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]hexanoic acid CAS Name: 6-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]hexanoic acid Traditional Name: 6-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]hexanoic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-14-8-9-15(26(24,25)20-11-5-6-12-20)13-16(14)18(23)19-10-4-2-3-7-17(21)22/h8-9,13H,2-7,10-12H2,1H3,(H,19,23)(H,21,22)