2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]ethyl]ammonium CAS Name: 2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]ethyl]ammonium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC[NH+](C(C)C)C(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC[NH+](C(C)C)C(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H35N3O3S/c1-16(2)24(17(3)4)14-11-22-21(25)19-10-9-18(5)20(15-19)28(26,27)23-12-7-6-8-13-23/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,22,25)/p+1