ethyl 4-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(N-tosylanilino)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H31N3O5S/c1-3-32-24(29)26-16-13-20(14-17-26)25-23(28)15-18-27(21-7-5-4-6-8-21)33(30,31)22-11-9-19(2)10-12-22/h4-12,20H,3,13-18H2,1-2H3,(H,25,28)