[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16(21(25)22-18-7-3-4-8-18)28-20(24)15-17-9-11-19(12-10-17)29(26,27)23-13-5-2-6-14-23/h9-12,16,18H,2-8,13-15H2,1H3,(H,22,25)