(4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-[3-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[3-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCN(C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CCN(C1)CC2CCN(C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C22H30N4O5S/c27-21(24-10-7-17(13-24)12-23-8-1-2-9-23)20-11-19(32)14-25(20)22(28)31-15-16-3-5-18(6-4-16)26(29)30/h3-6,17,19-20,32H,1-2,7-15H2