1-methyl-7-[(4-methylphenyl)sulfonylmethyl]-6-nitro-indole

Systemtic Name: 1-methyl-7-[(4-methylphenyl)sulfonylmethyl]-6-nitro-indole Openeye Name: 1-methyl-6-nitro-7-(p-tolylsulfonylmethyl)indole CAS Name: 1-methyl-7-[(4-methylphenyl)sulfonylmethyl]-6-nitroindole IUPAC Name: 1-methyl-7-[(4-methylphenyl)sulfonylmethyl]-6-nitroindole Traditional Name: 1-methyl-6-nitro-7-(tosylmethyl)indole Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2N(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2N(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c1-12-3-6-14(7-4-12)24(22,23)11-15-16(19(20)21)8-5-13-9-10-18(2)17(13)15/h3-10H,11H2,1-2H3