methyl 4-[2-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[oxo-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(5-piperidinosulfonyl-2-pyrrolidino-benzoyl)amino]ethyl]benzoic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

InChI=1S/C26H33N3O5S/c1-34-26(31)21-9-7-20(8-10-21)13-14-27-25(30)23-19-22(11-12-24(23)28-15-5-6-16-28)35(32,33)29-17-3-2-4-18-29/h7-12,19H,2-6,13-18H2,1H3,(H,27,30)