ethyl 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-methyl-2-(p-tolylsulfonylamino)pentanoyl]piperidine-3-carboxylate CAS Name: 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-methyl-2-(tosylamino)pentanoyl]nipecotic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H32N2O5S/c1-5-28-21(25)17-7-6-12-23(14-17)20(24)19(13-15(2)3)22-29(26,27)18-10-8-16(4)9-11-18/h8-11,15,17,19,22H,5-7,12-14H2,1-4H3