N-[2-methyl-5-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2-methyl-5-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide Openeye Name: N-[2-methyl-5-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[2-methyl-5-[[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[2-methyl-5-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[5-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]methanesulfonamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)NS(=O)(=O)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)NS(=O)(=O)C

InChI

InChI=1S/C21H32N4O4S/c1-16-7-8-18(14-19(16)22-30(3,28)29)21(27)24-12-10-23(11-13-24)15-20(26)25-9-5-4-6-17(25)2/h7-8,14,17,22H,4-6,9-13,15H2,1-3H3/p+1/t17-/m0/s1