methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]benzoate CAS Name: 4-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)carbamoyl]benzoate Traditional Name: 4-[(5-morpholinosulfonyl-2-pyrrolidino-phenyl)carbamoyl]benzoic acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H27N3O6S/c1-31-23(28)18-6-4-17(5-7-18)22(27)24-20-16-19(8-9-21(20)25-10-2-3-11-25)33(29,30)26-12-14-32-15-13-26/h4-9,16H,2-3,10-15H2,1H3,(H,24,27)