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

Systemtic Name: tert-butyl 3-[(4-acetamidophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-acetamidophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(4-acetamidophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-acetamidophenyl)methyl-(4-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(4-acetamidobenzyl)-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(C2CCCN(C2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1=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/C26H35N3O6S/c1-19(30)27-21-10-8-20(9-11-21)17-29(36(32,33)24-14-12-23(34-5)13-15-24)22-7-6-16-28(18-22)25(31)35-26(2,3)4/h8-15,22H,6-7,16-18H2,1-5H3,(H,27,30)