methyl 1-(4-nitrophenyl)sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-nitrophenyl)sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-(4-nitrophenyl)sulfonyl-4-octyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-4-octyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-nitrophenyl)sulfonyl-4-octyl-5-oxopiperazine-2-carboxylate Traditional Name: 5-keto-1-nosyl-4-octyl-piperazine-2-carboxylic acid methyl ester Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H29N3O7S/c1-3-4-5-6-7-8-13-21-14-18(20(25)30-2)22(15-19(21)24)31(28,29)17-11-9-16(10-12-17)23(26)27/h9-12,18H,3-8,13-15H2,1-2H3