2-nitro-4-[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonyl-N-(phenylmethyl)aniline

Systemtic Name: 2-nitro-4-[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonyl-N-(phenylmethyl)aniline Openeye Name: N-benzyl-4-[4-(benzylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline CAS Name: 2-nitro-4-[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonyl-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-4-[4-(benzylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline Traditional Name: benzyl-[4-[4-(benzylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O6S/c31-29(32)25-15-21(11-13-23(25)27-17-19-7-3-1-4-8-19)37(35,36)22-12-14-24(26(16-22)30(33)34)28-18-20-9-5-2-6-10-20/h1-16,27-28H,17-18H2