1-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-morpholinosulfonylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-[4-(4-morpholinylsulfonyl)anilino]-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-morpholin-4-ylsulfonylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(4-morpholinosulfonylanilino)prop-2-en-1-one Formula: C32H40N3O4S2+ MolecularWeight: 594.8077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)[N+]4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)[N+]4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H39N3O4S2/c1-31(2,3)24-9-7-23(8-10-24)29(36)28(34-17-15-25(16-18-34)32(4,5)6)30(40)33-26-11-13-27(14-12-26)41(37,38)35-19-21-39-22-20-35/h7-18H,19-22H2,1-6H3,(H-,33,36,40)/p+1