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

Systemtic Name: N-cyclopentyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-cyclopentyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-cyclopentyl-2-methoxy-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopentyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-cyclopentyl-2-methoxy-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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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)NC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C22H28N4O4S/c1-30-19-10-9-17(16-20(19)31(28,29)24-18-6-2-3-7-18)22(27)26-14-12-25(13-15-26)21-8-4-5-11-23-21/h4-5,8-11,16,18,24H,2-3,6-7,12-15H2,1H3/p+1