[(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: [(1S)-indan-1-yl]-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]ammonium IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: [(1S)-indan-1-yl]-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C22H26N3O4S2+ MolecularWeight: 460.58954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC1=S)C4CCC5=CC=CC=C45

Isomeric SMILES

C[NH+](CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC1=S)[C@H]4CCC5=CC=CC=C45

InChI

InChI=1S/C22H25N3O4S2/c1-23(19-8-6-16-4-2-3-5-18(16)19)15-25-20-14-17(7-9-21(20)29-22(25)30)31(26,27)24-10-12-28-13-11-24/h2-5,7,9,14,19H,6,8,10-13,15H2,1H3/p+1/t19-/m0/s1