methyl 7-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]heptanoate Openeye Name: methyl 7-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]heptanoate CAS Name: 7-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]heptanoate Traditional Name: 7-[(4-pyrrolidinosulfonylbenzoyl)amino]enanthic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C19H28N2O5S/c1-26-18(22)8-4-2-3-5-13-20-19(23)16-9-11-17(12-10-16)27(24,25)21-14-6-7-15-21/h9-12H,2-8,13-15H2,1H3,(H,20,23)