N-cyclopentyl-2-methoxy-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopentyl-2-methoxy-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopentyl-2-methoxy-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopentyl-2-methoxy-5-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopentyl-2-methoxy-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopentyl-2-methoxy-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CCCC4

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C22H30N4O5S/c1-16-13-19(31-23-16)15-25-9-11-26(12-10-25)22(27)17-7-8-20(30-2)21(14-17)32(28,29)24-18-5-3-4-6-18/h7-8,13-14,18,24H,3-6,9-12,15H2,1-2H3/p+1