[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]-[1-(p-tolylsulfonyl)-4-piperidyl]ammonium CAS Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]-(1-tosyl-4-piperidyl)ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH2+]C(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH2+][C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H29N3O3S/c1-17-7-11-21(12-8-17)30(28,29)26-15-13-20(14-16-26)24-22(18-5-3-2-4-6-18)23(27)25-19-9-10-19/h2-8,11-12,19-20,22,24H,9-10,13-16H2,1H3,(H,25,27)/p+1/t22-/m0/s1