1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole Openeye Name: 4,6-dinitro-1-(p-tolylsulfonyl)-3-(2-thienylmethyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole IUPAC Name: 1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethyl)indole Traditional Name: 4,6-dinitro-3-(2-thenyl)-1-tosyl-indole Formula: C20H15N3O6S2 MolecularWeight: 457.4796

Click to see the large picture

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=CS4

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=CS4

InChI

InChI=1S/C20H15N3O6S2/c1-13-4-6-17(7-5-13)31(28,29)21-12-14(9-16-3-2-8-30-16)20-18(21)10-15(22(24)25)11-19(20)23(26)27/h2-8,10-12H,9H2,1H3