tert-butyl 4-(hydroxymethyl)-4-[(2-nitro-4-sulfamoyl-phenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(hydroxymethyl)-4-[(2-nitro-4-sulfamoyl-phenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(hydroxymethyl)-4-(2-nitro-4-sulfamoyl-anilino)piperidine-1-carboxylate CAS Name: 4-(hydroxymethyl)-4-(2-nitro-4-sulfamoylanilino)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(hydroxymethyl)-4-(2-nitro-4-sulfamoylanilino)piperidine-1-carboxylate Traditional Name: 4-methylol-4-(2-nitro-4-sulfamoyl-anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H26N4O7S MolecularWeight: 430.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O7S/c1-16(2,3)28-15(23)20-8-6-17(11-22,7-9-20)19-13-5-4-12(29(18,26)27)10-14(13)21(24)25/h4-5,10,19,22H,6-9,11H2,1-3H3,(H2,18,26,27)