1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(pyridin-3-ylmethyl)indole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(pyridin-3-ylmethyl)indole Openeye Name: 4,6-dinitro-1-(p-tolylsulfonyl)-3-(3-pyridylmethyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(3-pyridinylmethyl)indole IUPAC Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(pyridin-3-ylmethyl)indole Traditional Name: 4,6-dinitro-3-(3-pyridylmethyl)-1-tosyl-indole Formula: C21H16N4O6S MolecularWeight: 452.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-])CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-])CC4=CN=CC=C4

InChI

InChI=1S/C21H16N4O6S/c1-14-4-6-18(7-5-14)32(30,31)23-13-16(9-15-3-2-8-22-12-15)21-19(23)10-17(24(26)27)11-20(21)25(28)29/h2-8,10-13H,9H2,1H3