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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethyl)indole Openeye Name: 3-benzyl-4,6-dinitro-1-(p-tolylsulfonyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(phenylmethyl)indole IUPAC Name: 3-benzyl-1-(4-methylphenyl)sulfonyl-4,6-dinitroindole Traditional Name: 3-benzyl-4,6-dinitro-1-tosyl-indole Formula: C22H17N3O6S MolecularWeight: 451.45188

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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=CC=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=CC=CC=C4

InChI

InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-10,12-14H,11H2,1H3