3-phenylpropyl 4-chloranyl-2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-phenylpropyl 4-chloranyl-2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-phenylpropyl 4-chloro-2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-2-(1-pyrrolidinyl)-5-(1-pyrrolidinylsulfonyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-chloro-2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-2-pyrrolidino-5-pyrrolidinosulfonyl-benzoic acid 3-phenylpropyl ester Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2C(=O)OCCCC3=CC=CC=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2C(=O)OCCCC3=CC=CC=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C24H29ClN2O4S/c25-21-18-22(26-12-4-5-13-26)20(17-23(21)32(29,30)27-14-6-7-15-27)24(28)31-16-8-11-19-9-2-1-3-10-19/h1-3,9-10,17-18H,4-8,11-16H2