dimethyl-[(1S)-2-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-phenyl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-methyl-5-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[2-methyl-5-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-methyl-5-[(2S)-2-methylpiperidino]sulfonyl-benzoyl]amino]-1-phenyl-ethyl]ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C24H33N3O3S/c1-18-13-14-21(31(29,30)27-15-9-8-10-19(27)2)16-22(18)24(28)25-17-23(26(3)4)20-11-6-5-7-12-20/h5-7,11-14,16,19,23H,8-10,15,17H2,1-4H3,(H,25,28)/p+1/t19-,23+/m0/s1