2-(4-methoxyphenyl)-6-nitro-4-(phenylmethyl)sulfonyl-1H-indole

Systemtic Name: 2-(4-methoxyphenyl)-6-nitro-4-(phenylmethyl)sulfonyl-1H-indole Openeye Name: 4-benzylsulfonyl-2-(4-methoxyphenyl)-6-nitro-1H-indole CAS Name: 2-(4-methoxyphenyl)-6-nitro-4-(phenylmethyl)sulfonyl-1H-indole IUPAC Name: 4-benzylsulfonyl-2-(4-methoxyphenyl)-6-nitro-1H-indole Traditional Name: 4-benzylsulfonyl-2-(4-methoxyphenyl)-6-nitro-1H-indole Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3N2)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3N2)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5S/c1-29-18-9-7-16(8-10-18)20-13-19-21(23-20)11-17(24(25)26)12-22(19)30(27,28)14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3