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

Systemtic Name: dimethyl-[(2R)-2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2R)-2-[[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2R)-2-[[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2R)-2-[[4-[(3S)-3-methylpiperidino]sulfonylbenzoyl]amino]-2-phenyl-ethyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-18-8-7-15-26(16-18)30(28,29)21-13-11-20(12-14-21)23(27)24-22(17-25(2)3)19-9-5-4-6-10-19/h4-6,9-14,18,22H,7-8,15-17H2,1-3H3,(H,24,27)/p+1/t18-,22-/m0/s1