propan-2-yl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid isopropyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O6S/c1-15(2)30-20(25)13-18(16-6-4-3-5-7-16)23-21(26)19-12-17(14-22-19)31(27,28)24-8-10-29-11-9-24/h3-7,12,14-15,18,22H,8-11,13H2,1-2H3,(H,23,26)