N-cyclopropyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-cyclopropyl-2-methoxy-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-cyclopropyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C20H24N4O4S/c1-28-17-8-5-15(14-18(17)29(26,27)22-16-6-7-16)20(25)24-12-10-23(11-13-24)19-4-2-3-9-21-19/h2-5,8-9,14,16,22H,6-7,10-13H2,1H3/p+1