[4-[(4-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[(4-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(4-isopropylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[[(4-nitrophenyl)-oxomethyl]-(4-propan-2-ylphenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-nitrobenzoyl)-(4-propan-2-ylphenyl)sulfonylamino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-nitrobenzoyl)-p-cumenylsulfonyl-amino]-1-naphthyl] ester Formula: C33H25N3O9S MolecularWeight: 639.6313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H25N3O9S/c1-21(2)22-11-17-27(18-12-22)46(43,44)34(32(37)23-7-13-25(14-8-23)35(39)40)30-19-20-31(29-6-4-3-5-28(29)30)45-33(38)24-9-15-26(16-10-24)36(41)42/h3-21H,1-2H3