(4-nitrophenyl)methyl N-methyl-N-[[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpyrrolidin-3-yl]methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-methyl-N-[[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpyrrolidin-3-yl]methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-methyl-N-[[1-(1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate CAS Name: N-[[1-[(4-mercapto-1-methyl-2-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl]methyl]-N-methylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-methyl-N-[[1-(1-methyl-4-sulfanylpyrrolidine-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate Traditional Name: N-[[1-(4-mercapto-1-methyl-prolyl)pyrrolidin-3-yl]methyl]-N-methyl-carbamic acid (4-nitrobenzyl) ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N2CCC(C2)CN(C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CC(CC1C(=O)N2CCC(C2)CN(C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C20H28N4O5S/c1-21-12-17(30)9-18(21)19(25)23-8-7-15(11-23)10-22(2)20(26)29-13-14-3-5-16(6-4-14)24(27)28/h3-6,15,17-18,30H,7-13H2,1-2H3