(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-pentyl-propan-2-yl-azanium

Systemtic Name: (5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-pentyl-propan-2-yl-azanium Openeye Name: isopropyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-pentyl-ammonium CAS Name: [5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-pentyl-propan-2-ylammonium IUPAC Name: (5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-pentyl-propan-2-ylazanium Traditional Name: amyl-isopropyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C20H32N3O4S2+ MolecularWeight: 442.61578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S2/c1-4-5-6-9-21(16(2)3)15-23-18-14-17(7-8-19(18)27-20(23)28)29(24,25)22-10-12-26-13-11-22/h7-8,14,16H,4-6,9-13,15H2,1-3H3/p+1