[2-chloranyl-5-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide

Systemtic Name: [2-chloranyl-5-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Openeye Name: [2-chloro-5-[3-(diethylammonio)propylcarbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide CAS Name: [2-chloro-5-[[3-(diethylammonio)propylamino]-oxomethyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide IUPAC Name: [2-chloro-5-[3-(diethylazaniumyl)propylcarbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Traditional Name: [2-chloro-5-[3-(diethylammonio)propylcarbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN3O4S/c1-4-25(5-2)14-6-13-23-21(26)16-7-12-19(22)20(15-16)30(27,28)24-17-8-10-18(29-3)11-9-17/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,26)/q-1/p+1