diethyl-[3-[(4-methoxy-2-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]propyl]azanium

Systemtic Name: diethyl-[3-[(4-methoxy-2-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]propyl]azanium Openeye Name: diethyl-[3-[4-methoxy-2-nitro-N-(p-tolylsulfonyl)anilino]propyl]ammonium CAS Name: diethyl-[3-(4-methoxy-N-(4-methylphenyl)sulfonyl-2-nitroanilino)propyl]ammonium IUPAC Name: diethyl-[3-(4-methoxy-N-(4-methylphenyl)sulfonyl-2-nitroanilino)propyl]azanium Traditional Name: diethyl-[3-(4-methoxy-2-nitro-N-tosyl-anilino)propyl]ammonium Formula: C21H30N3O5S+ MolecularWeight: 436.545

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(C1=C(C=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[NH+](CC)CCCN(C1=C(C=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H29N3O5S/c1-5-22(6-2)14-7-15-23(30(27,28)19-11-8-17(3)9-12-19)20-13-10-18(29-4)16-21(20)24(25)26/h8-13,16H,5-7,14-15H2,1-4H3/p+1