N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-ethanoylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-ethanoylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-acetylpiperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; N-methylmethanamine IUPAC Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-acetylpiperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-acetylpiperazine-1-carbonyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; dimethylamine Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S.CNC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S.CNC

InChI

InChI=1S/C19H24N4O6S.C2H7N/c1-13(24)20-6-8-21(9-7-20)18(25)17-10-16(30)11-22(17)19(26)29-12-14-2-4-15(5-3-14)23(27)28;1-3-2/h2-5,16-17,30H,6-12H2,1H3;3H,1-2H3