4-methyl-N-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-4,5-dihydrooxazol-2-yl]benzenesulfonamide CAS Name: N-[4-(mercaptomethyl)-5-(4-nitrophenyl)-4,5-dihydrooxazol-2-yl]-4-methylbenzenesulfonamide IUPAC Name: 4-methyl-N-[5-(4-nitrophenyl)-4-(sulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonamide Traditional Name: N-[4-(mercaptomethyl)-5-(4-nitrophenyl)-2-oxazolin-2-yl]-4-methyl-benzenesulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CS

InChI

InChI=1S/C17H17N3O5S2/c1-11-2-8-14(9-3-11)27(23,24)19-17-18-15(10-26)16(25-17)12-4-6-13(7-5-12)20(21)22/h2-9,15-16,26H,10H2,1H3,(H,18,19)