(4-nitrophenyl)methyl 2-(3,4-dimethylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(3,4-dimethyl-1-piperazinyl)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3,4-dimethylpiperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(3,4-dimethylpiperazine-1-carbonyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC1CN(CCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H26N4O5S/c1-13-10-21(8-7-20(13)2)18(24)17-9-16(29)11-22(17)19(25)28-12-14-3-5-15(6-4-14)23(26)27/h3-6,13,16-17,29H,7-12H2,1-2H3