4-methyl-3-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[3-(phenylthio)propyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[3-(phenylthio)propyl]benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c1-13-8-9-15(12-16(13)18(19)20)24(21,22)17-10-5-11-23-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3