N,N-diethyl-4-[[3-(hydroxymethyl)phenyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[3-(hydroxymethyl)phenyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-(hydroxymethyl)anilino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(hydroxymethyl)anilino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-(hydroxymethyl)anilino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(3-methylolanilino)-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CO)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-3-19(4-2)26(24,25)15-8-9-16(17(11-15)20(22)23)18-14-7-5-6-13(10-14)12-21/h5-11,18,21H,3-4,12H2,1-2H3