5-chloranyl-1-[(4-methylphenyl)sulfonylmethyl]-2-nitro-3-phenylmethoxy-benzene

Systemtic Name: 5-chloranyl-1-[(4-methylphenyl)sulfonylmethyl]-2-nitro-3-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-5-chloro-2-nitro-3-(p-tolylsulfonylmethyl)benzene CAS Name: 5-chloro-1-[(4-methylphenyl)sulfonylmethyl]-2-nitro-3-phenylmethoxybenzene IUPAC Name: 5-chloro-1-[(4-methylphenyl)sulfonylmethyl]-2-nitro-3-phenylmethoxybenzene Traditional Name: 1-benzoxy-5-chloro-2-nitro-3-(tosylmethyl)benzene Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO5S/c1-15-7-9-19(10-8-15)29(26,27)14-17-11-18(22)12-20(21(17)23(24)25)28-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3