6-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethylamino]-N-propan-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethylamino]-N-propan-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[2-(4-benzylpiperazin-1-ium-1-yl)ethylamino]-N-isopropyl-pyridine-3-sulfonamide CAS Name: 6-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethylamino]-N-propan-2-yl-3-pyridinesulfonamide IUPAC Name: 6-[2-(4-benzylpiperazin-1-ium-1-yl)ethylamino]-N-propan-2-ylpyridine-3-sulfonamide Traditional Name: 6-[2-(4-benzylpiperazin-1-ium-1-yl)ethylamino]-N-isopropyl-pyridine-3-sulfonamide Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CN=C(C=C1)NCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CN=C(C=C1)NCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N5O2S/c1-18(2)24-29(27,28)20-8-9-21(23-16-20)22-10-11-25-12-14-26(15-13-25)17-19-6-4-3-5-7-19/h3-9,16,18,24H,10-15,17H2,1-2H3,(H,22,23)/p+1