3-pyridin-4-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-pyridin-4-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-(4-pyridyl)propyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid 3-(4-pyridyl)propyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCCCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCCCC3=CC=NC=C3

InChI

InChI=1S/C20H24N2O4S/c1-16-6-7-18(27(24,25)22-12-2-3-13-22)15-19(16)20(23)26-14-4-5-17-8-10-21-11-9-17/h6-11,15H,2-5,12-14H2,1H3