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

Systemtic Name: methyl 4-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoyl]amino]benzoate CAS Name: 4-[[oxo-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(5-piperidinosulfonyl-2-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-32-24(29)18-7-9-19(10-8-18)25-23(28)21-17-20(11-12-22(21)26-13-5-6-14-26)33(30,31)27-15-3-2-4-16-27/h7-12,17H,2-6,13-16H2,1H3,(H,25,28)