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

Systemtic Name: propan-2-yl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H26N4O8S MolecularWeight: 494.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N4O8S/c1-14(2)33-20(26)12-17(16-5-3-4-6-19(16)25(28)29)23-21(27)18-11-15(13-22-18)34(30,31)24-7-9-32-10-8-24/h3-6,11,13-14,17,22H,7-10,12H2,1-2H3,(H,23,27)