(3-chlorophenyl)-[3-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (3-chlorophenyl)-[3-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (3-chlorophenyl)-[3-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (3-chlorophenyl)-[3-[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]phenyl]sulfonylazanide IUPAC Name: (3-chlorophenyl)-[3-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (3-chlorophenyl)-[3-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN3O3S/c1-15(2)25-11-9-18(10-12-25)23-21(26)16-5-3-8-20(13-16)29(27,28)24-19-7-4-6-17(22)14-19/h3-8,13-15,18H,9-12H2,1-2H3,(H,23,26)/q-1/p+1