1-(methoxymethyl)-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-indole

Systemtic Name: 1-(methoxymethyl)-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-indole Openeye Name: 1-(methoxymethyl)-5-nitro-4-(p-tolylsulfonylmethyl)indole CAS Name: 1-(methoxymethyl)-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroindole IUPAC Name: 1-(methoxymethyl)-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroindole Traditional Name: 1-(methoxymethyl)-5-nitro-4-(tosylmethyl)indole Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2C=CN3COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2C=CN3COC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-13-3-5-14(6-4-13)26(23,24)11-16-15-9-10-19(12-25-2)17(15)7-8-18(16)20(21)22/h3-10H,11-12H2,1-2H3