methyl-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1S)-1-(4-methylthiazol-2-yl)ethyl]ammonium CAS Name: methyl-[(1S)-1-(4-methyl-2-thiazolyl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1S)-1-(4-methylthiazol-2-yl)ethyl]ammonium Formula: C22H31N4O2S2+ MolecularWeight: 447.63714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C)[NH+](C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CSC(=N1)[C@H](C)[NH+](C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H30N4O2S2/c1-16(2)30(27,28)22-23-13-20(26(22)12-11-19-9-7-6-8-10-19)14-25(5)18(4)21-24-17(3)15-29-21/h6-10,13,15-16,18H,11-12,14H2,1-5H3/p+1/t18-/m0/s1