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

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [3-hydroxy-2-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]-3-(4-nitrophenyl)propyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-hydroxy-2-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-(4-nitrophenyl)propyl] ester IUPAC Name: [3-hydroxy-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-(4-nitrophenyl)propyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [3-hydroxy-2-[(4-methyl-3-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)C(=O)NC(COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C(C4=CC=C(C=C4)[N+](=O)[O-])O)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C(C4=CC=C(C=C4)[N+](=O)[O-])O)S(=O)(=O)N5CCOCC5

InChI

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