7-(tert-butylsulfonylmethyl)-1-[(4-methoxyphenyl)methyl]-6-nitro-indole

Systemtic Name: 7-(tert-butylsulfonylmethyl)-1-[(4-methoxyphenyl)methyl]-6-nitro-indole Openeye Name: 7-(tert-butylsulfonylmethyl)-1-[(4-methoxyphenyl)methyl]-6-nitro-indole CAS Name: 7-(tert-butylsulfonylmethyl)-1-[(4-methoxyphenyl)methyl]-6-nitroindole IUPAC Name: 7-(tert-butylsulfonylmethyl)-1-[(4-methoxyphenyl)methyl]-6-nitroindole Traditional Name: 7-(tert-butylsulfonylmethyl)-6-nitro-1-p-anisyl-indole Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=C(C=CC2=C1N(C=C2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=C(C=CC2=C1N(C=C2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)29(26,27)14-18-19(23(24)25)10-7-16-11-12-22(20(16)18)13-15-5-8-17(28-4)9-6-15/h5-12H,13-14H2,1-4H3