2-[[4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C21H35ClN3O3S+ MolecularWeight: 445.0389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C)Cl

InChI

InChI=1S/C21H34ClN3O3S/c1-15(2)25(16(3)4)12-10-23-21(26)18-8-9-19(22)20(13-18)29(27,28)24-11-6-7-17(5)14-24/h8-9,13,15-17H,6-7,10-12,14H2,1-5H3,(H,23,26)/p+1/t17-/m0/s1