methyl 4-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl 4-[[1-(2-naphthylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 4-[[1-(2-naphthylsulfonyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O5S/c1-28-20(24)7-4-12-22-21(25)17-10-13-23(14-11-17)29(26,27)19-9-8-16-5-2-3-6-18(16)15-19/h2-3,5-6,8-9,15,17H,4,7,10-14H2,1H3,(H,22,25)