(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H27N2O3S2+ MolecularWeight: 419.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26N2O3S2/c1-5-28(24,25)18-10-11-20-19(12-18)23(21(27)26-20)14-22(4)13-16-6-8-17(9-7-16)15(2)3/h6-12,15H,5,13-14H2,1-4H3/p+1