4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]butanoic acid CAS Name: 4-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-12-6-7-13(24(22,23)18-9-2-3-10-18)11-14(12)16(21)17-8-4-5-15(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,17,21)(H,19,20)