N-[3-[[2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]amino]propyl]benzamide

Systemtic Name: N-[3-[[2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]amino]propyl]benzamide Openeye Name: N-[3-[2-(2-hydroxyethylsulfonyl)-4-nitro-anilino]propyl]benzamide CAS Name: N-[3-[2-(2-hydroxyethylsulfonyl)-4-nitroanilino]propyl]benzamide IUPAC Name: N-[3-[2-(2-hydroxyethylsulfonyl)-4-nitroanilino]propyl]benzamide Traditional Name: N-[3-[2-(2-hydroxyethylsulfonyl)-4-nitro-anilino]propyl]benzamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCO

InChI

InChI=1S/C18H21N3O6S/c22-11-12-28(26,27)17-13-15(21(24)25)7-8-16(17)19-9-4-10-20-18(23)14-5-2-1-3-6-14/h1-3,5-8,13,19,22H,4,9-12H2,(H,20,23)