3-nitro-N-propan-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Formula: C19H26N5O4S+ MolecularWeight: 420.50584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-15(2)21-29(27,28)17-5-6-18(19(12-17)24(25)26)23-10-8-22(9-11-23)14-16-4-3-7-20-13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/p+1