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

Systemtic Name: (4-nitrophenyl)methyl N-[[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpyrrolidin-3-yl]methyl]carbamate Openeye Name: (4-nitrophenyl)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]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)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]carbamic acid (4-nitrobenzyl) ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S/c1-21-11-16(29)8-17(21)18(24)22-7-6-14(10-22)9-20-19(25)28-12-13-2-4-15(5-3-13)23(26)27/h2-5,14,16-17,29H,6-12H2,1H3,(H,20,25)