[4-[naphthalen-2-ylsulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[naphthalen-2-ylsulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[2-naphthylsulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-naphthalenylsulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[naphthalen-2-ylsulfonyl-(4-nitrobenzoyl)amino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-naphthylsulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C34H21N3O9S MolecularWeight: 647.61024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(C3=CC=C(C4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H21N3O9S/c38-33(23-9-14-26(15-10-23)36(40)41)35(47(44,45)28-18-13-22-5-1-2-6-25(22)21-28)31-19-20-32(30-8-4-3-7-29(30)31)46-34(39)24-11-16-27(17-12-24)37(42)43/h1-21H