tert-butyl 4-[cyclohexyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[cyclohexyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[cyclohexyl-(2-ethoxy-2-oxo-ethyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoate CAS Name: 4-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate Traditional Name: 4-[cyclohexyl-(2-ethoxy-2-keto-ethyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid tert-butyl ester Formula: C28H38N2O7S MolecularWeight: 546.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1CCCCC1)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CN(C1CCCCC1)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H38N2O7S/c1-5-36-26(32)19-30(22-13-7-6-8-14-22)27(33)24(18-25(31)37-28(2,3)4)29-38(34,35)23-16-15-20-11-9-10-12-21(20)17-23/h9-12,15-17,22,24,29H,5-8,13-14,18-19H2,1-4H3