N-butan-2-yl-4-[2-[2-[4-(butan-2-ylamino)-3-nitro-phenyl]phenyl]sulfinylphenyl]-2-nitro-aniline

Systemtic Name: N-butan-2-yl-4-[2-[2-[4-(butan-2-ylamino)-3-nitro-phenyl]phenyl]sulfinylphenyl]-2-nitro-aniline Openeye Name: 2-nitro-4-[2-[2-[3-nitro-4-(sec-butylamino)phenyl]phenyl]sulfinylphenyl]-N-sec-butyl-aniline CAS Name: N-butan-2-yl-4-[2-[2-[4-(butan-2-ylamino)-3-nitrophenyl]phenyl]sulfinylphenyl]-2-nitroaniline IUPAC Name: N-butan-2-yl-4-[2-[2-[4-(butan-2-ylamino)-3-nitrophenyl]phenyl]sulfinylphenyl]-2-nitroaniline Traditional Name: [2-nitro-4-[2-[2-[3-nitro-4-(sec-butylamino)phenyl]phenyl]sulfinylphenyl]phenyl]-sec-butyl-amine Formula: C32H34N4O5S MolecularWeight: 586.70116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)C3=CC=CC=C3C4=CC(=C(C=C4)NC(C)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)C3=CC=CC=C3C4=CC(=C(C=C4)NC(C)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H34N4O5S/c1-5-21(3)33-27-17-15-23(19-29(27)35(37)38)25-11-7-9-13-31(25)42(41)32-14-10-8-12-26(32)24-16-18-28(34-22(4)6-2)30(20-24)36(39)40/h7-22,33-34H,5-6H2,1-4H3