tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[(4-propoxyphenyl)methyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[(4-propoxyphenyl)methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[(4-propoxyphenyl)methyl]amino]piperidine-1-carboxylate CAS Name: 3-[(4-methoxyphenyl)sulfonyl-[(4-propoxyphenyl)methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[(4-propoxyphenyl)methyl]amino]piperidine-1-carboxylate Traditional Name: 3-[(4-methoxyphenyl)sulfonyl-(4-propoxybenzyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(C2CCCN(C2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(C2CCCN(C2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H38N2O6S/c1-6-18-34-24-11-9-21(10-12-24)19-29(36(31,32)25-15-13-23(33-5)14-16-25)22-8-7-17-28(20-22)26(30)35-27(2,3)4/h9-16,22H,6-8,17-20H2,1-5H3