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

Systemtic Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-ethanoylpiperazin-1-yl)carbonyl-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-acetylpiperazine-1-carbonyl)-4-benzoylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-(benzoylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester; N-methylmethanamine IUPAC Name: N-methylmethanamine; (4-nitrophenyl)methyl 2-(4-acetylpiperazine-1-carbonyl)-4-benzoylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-acetylpiperazine-1-carbonyl)-4-(benzoylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester; dimethylamine Formula: C28H35N5O7S MolecularWeight: 585.6718

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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-])SC(=O)C4=CC=CC=C4.CNC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4.CNC

InChI

InChI=1S/C26H28N4O7S.C2H7N/c1-18(31)27-11-13-28(14-12-27)24(32)23-15-22(38-25(33)20-5-3-2-4-6-20)16-29(23)26(34)37-17-19-7-9-21(10-8-19)30(35)36;1-3-2/h2-10,22-23H,11-17H2,1H3;3H,1-2H3