N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-4-methyl-benzenesulfonamide Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-12-3-6-14(7-4-12)25(23,24)19-10-2-9-18-16-8-5-13(20(21)22)11-15(16)17/h3-8,11,18-19H,2,9-10H2,1H3