3-(2-nitroethyl)-1-(phenylsulfonyl)indole

Systemtic Name: 3-(2-nitroethyl)-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-(2-nitroethyl)indole CAS Name: 1-(benzenesulfonyl)-3-(2-nitroethyl)indole IUPAC Name: 1-(benzenesulfonyl)-3-(2-nitroethyl)indole Traditional Name: 1-besyl-3-(2-nitroethyl)indole Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c19-18(20)11-10-13-12-17(16-9-5-4-8-15(13)16)23(21,22)14-6-2-1-3-7-14/h1-9,12H,10-11H2