[2-chloranyl-5-[3-(dimethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-ethoxyphenyl)azanide

Systemtic Name: [2-chloranyl-5-[3-(dimethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-ethoxyphenyl)azanide Openeye Name: [2-chloro-5-[3-(dimethylammonio)propylcarbamoyl]phenyl]sulfonyl-(4-ethoxyphenyl)azanide CAS Name: [2-chloro-5-[[3-(dimethylammonio)propylamino]-oxomethyl]phenyl]sulfonyl-(4-ethoxyphenyl)azanide IUPAC Name: [2-chloro-5-[3-(dimethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-ethoxyphenyl)azanide Traditional Name: [2-chloro-5-[3-(dimethylammonio)propylcarbamoyl]phenyl]sulfonyl-p-phenetyl-azanide Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+](C)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C20H25ClN3O4S/c1-4-28-17-9-7-16(8-10-17)23-29(26,27)19-14-15(6-11-18(19)21)20(25)22-12-5-13-24(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)/q-1/p+1