[4-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide

Systemtic Name: [4-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Openeye Name: [4-[3-(diethylammonio)propylcarbamoyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide CAS Name: [4-[[3-(diethylammonio)propylamino]-oxomethyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide IUPAC Name: [4-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Traditional Name: [4-[3-(diethylammonio)propylcarbamoyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3O3S/c1-5-25(6-2)15-7-14-23-22(26)19-9-12-21(13-10-19)29(27,28)24-20-11-8-17(3)18(4)16-20/h8-13,16H,5-7,14-15H2,1-4H3,(H,23,26)/q-1/p+1