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

Systemtic Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-[(1R)-1-(1,3-thiazol-2-yl)ethyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-thiazol-2-ylethyl]ammonium CAS Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-[(1R)-1-(2-thiazolyl)ethyl]ammonium IUPAC Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-[(1R)-1-(1,3-thiazol-2-yl)ethyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-thiazol-2-ylethyl]ammonium Formula: C21H29N4O2S2+ MolecularWeight: 433.61056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C(C)C3=NC=CS3

Isomeric SMILES

C[C@H](C1=NC=CS1)[NH+](C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H28N4O2S2/c1-16(2)29(26,27)21-23-14-19(15-24(4)17(3)20-22-11-13-28-20)25(21)12-10-18-8-6-5-7-9-18/h5-9,11,13-14,16-17H,10,12,15H2,1-4H3/p+1/t17-/m1/s1