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

Systemtic Name: tert-butyl 3-[(4-iodophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-iodophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate CAS Name: 3-[(4-iodophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-iodophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Traditional Name: 3-[(4-carbomethoxybenzyl)-(4-iodophenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31IN2O6S MolecularWeight: 614.49291

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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)I

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)I

InChI

InChI=1S/C25H31IN2O6S/c1-25(2,3)34-24(30)27-15-5-6-21(17-27)28(35(31,32)22-13-11-20(26)12-14-22)16-18-7-9-19(10-8-18)23(29)33-4/h7-14,21H,5-6,15-17H2,1-4H3