N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-3-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]propionamide Formula: C22H31ClN5O4S+ MolecularWeight: 497.03064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H30ClN5O4S/c1-17-14-18(32-25-17)16-27-12-10-26(11-13-27)9-6-22(29)24-21-15-19(4-5-20(21)23)33(30,31)28-7-2-3-8-28/h4-5,14-15H,2-3,6-13,16H2,1H3,(H,24,29)/p+1