dimethyl-[(2S)-1-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[4-(4-methylpiperidino)sulfonylbenzoyl]amino]ethyl]-dimethyl-ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C24H33N3O3S/c1-19-13-15-27(16-14-19)31(29,30)23-11-9-21(10-12-23)24(28)25-18-22(26(2)3)17-20-7-5-4-6-8-20/h4-12,19,22H,13-18H2,1-3H3,(H,25,28)/p+1/t22-/m0/s1