[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [3-hydroxy-2-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]-3-(4-nitrophenyl)propyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [3-hydroxy-2-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-(4-nitrophenyl)propyl] ester IUPAC Name: [3-hydroxy-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-3-(4-nitrophenyl)propyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [3-hydroxy-2-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]-3-(4-nitrophenyl)propyl] ester Formula: C33H38N4O12S2 MolecularWeight: 746.80442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C(C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C(C5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C33H38N4O12S2/c1-22-3-9-26(50(43,44)35-11-15-47-16-12-35)19-28(22)32(39)34-30(31(38)24-5-7-25(8-6-24)37(41)42)21-49-33(40)29-20-27(10-4-23(29)2)51(45,46)36-13-17-48-18-14-36/h3-10,19-20,30-31,38H,11-18,21H2,1-2H3,(H,34,39)