tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(4-methoxycarbonylphenyl)methyl-(4-nitrophenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-nitrophenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(4-carbomethoxybenzyl)-nosyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O8S MolecularWeight: 533.59394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O8S/c1-25(2,3)36-24(30)26-15-5-6-21(17-26)27(16-18-7-9-19(10-8-18)23(29)35-4)37(33,34)22-13-11-20(12-14-22)28(31)32/h7-14,21H,5-6,15-17H2,1-4H3