2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H34N5O5S+ MolecularWeight: 480.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O5S/c1-18-5-4-10-26(16-18)33(31,32)19-6-7-20(21(15-19)27(29)30)24-13-11-23(12-14-24)17-22(28)25-8-2-3-9-25/h6-7,15,18H,2-5,8-14,16-17H2,1H3/p+1/t18-/m0/s1