[4-[(3-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(4-isopropylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(4-propan-2-ylphenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(4-propan-2-ylphenyl)sulfonylamino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-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(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=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(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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