(2R)-N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(benzenesulfonyl)-N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-(benzenesulfonyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(benzenesulfonyl)-N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-besyl-N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-25-14-16-26(17-15-25)18-19-9-11-20(12-10-19)24-23(28)22-8-5-13-27(22)31(29,30)21-6-3-2-4-7-21/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,24,28)/p+1/t22-/m1/s1