N,N-diethyl-4-nitro-3-(phenylsulfonyl)aniline

Systemtic Name: N,N-diethyl-4-nitro-3-(phenylsulfonyl)aniline Openeye Name: 3-(benzenesulfonyl)-N,N-diethyl-4-nitro-aniline CAS Name: 3-(benzenesulfonyl)-N,N-diethyl-4-nitroaniline IUPAC Name: 3-(benzenesulfonyl)-N,N-diethyl-4-nitroaniline Traditional Name: (3-besyl-4-nitro-phenyl)-diethyl-amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c1-3-17(4-2)13-10-11-15(18(19)20)16(12-13)23(21,22)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3