ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonyl-(2-methylpropyl)amino]ethanoate

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonyl-(2-methylpropyl)amino]ethanoate Openeye Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]-isobutyl-amino]acetate CAS Name: 2-[[[1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-(2-methylpropyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]-(2-methylpropyl)amino]acetate Traditional Name: 2-[[1-(4-chlorophenyl)sulfonylnipecotoyl]-isobutyl-amino]acetic acid ethyl ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(C)C)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CN(CC(C)C)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN2O5S/c1-4-28-19(24)14-22(12-15(2)3)20(25)16-6-5-11-23(13-16)29(26,27)18-9-7-17(21)8-10-18/h7-10,15-16H,4-6,11-14H2,1-3H3