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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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