N-(2-morpholin-4-ylethyl)-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-morpholinoethyl)-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2-morpholinoethyl)-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C21H29N6O5S+ MolecularWeight: 477.55716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCOCC3)[N+](=O)[O-])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)NCCN3CCOCC3)[N+](=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H28N6O5S/c28-27(29)20-17-18(33(30,31)23-7-8-24-13-15-32-16-14-24)4-5-19(20)25-9-11-26(12-10-25)21-3-1-2-6-22-21/h1-6,17,23H,7-16H2/p+1