methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzoyl)amino]butanoate CAS Name: 4-[[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)amino]butanoate Traditional Name: 4-[(5-morpholinosulfonyl-2-pyrrolidino-benzoyl)amino]butyric acid methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

InChI

InChI=1S/C20H29N3O6S/c1-28-19(24)5-4-8-21-20(25)17-15-16(6-7-18(17)22-9-2-3-10-22)30(26,27)23-11-13-29-14-12-23/h6-7,15H,2-5,8-14H2,1H3,(H,21,25)