(2-chlorophenyl)-[3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (2-chlorophenyl)-[3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (2-chlorophenyl)-[3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (2-chlorophenyl)-[3-[oxo-[3-(1-piperidin-1-iumyl)propylamino]methyl]phenyl]sulfonylazanide IUPAC Name: (2-chlorophenyl)-[3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (2-chlorophenyl)-[3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]sulfonyl-azanide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN3O3S/c22-19-10-2-3-11-20(19)24-29(27,28)18-9-6-8-17(16-18)21(26)23-12-7-15-25-13-4-1-5-14-25/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,23,26)/q-1/p+1