3-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]-1H-indole

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]-1H-indole Openeye Name: 3-[(4-nitrophenyl)-(p-tolylsulfonyl)methyl]-1H-indole CAS Name: 3-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]-1H-indole IUPAC Name: 3-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]-1H-indole Traditional Name: 3-[(4-nitrophenyl)-tosyl-methyl]-1H-indole Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H18N2O4S/c1-15-6-12-18(13-7-15)29(27,28)22(16-8-10-17(11-9-16)24(25)26)20-14-23-21-5-3-2-4-19(20)21/h2-14,22-23H,1H3