(2-chlorophenyl)-[3-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (2-chlorophenyl)-[3-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (2-chlorophenyl)-[3-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (2-chlorophenyl)-[3-[[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2-chlorophenyl)-[3-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (2-chlorophenyl)-[3-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]phenyl]sulfonyl-azanide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)[N-]C2=CC=CC=C2Cl)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)[N-]C2=CC=CC=C2Cl)[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN3O3S/c1-22(2,26-13-6-3-7-14-26)16-24-21(27)17-9-8-10-18(15-17)30(28,29)25-20-12-5-4-11-19(20)23/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3,(H,24,27)/q-1/p+1