1-(5-chloranylthiophen-2-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-[4-(4-morpholinylsulfonyl)anilino]-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(4-morpholin-4-ylsulfonylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21ClN3O4S3+ MolecularWeight: 523.06784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=C(C(=O)C3=CC=C(S3)Cl)[N+]4=CC=CC=C4)S

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=C(C(=O)C3=CC=C(S3)Cl)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C22H20ClN3O4S3/c23-19-9-8-18(32-19)21(27)20(25-10-2-1-3-11-25)22(31)24-16-4-6-17(7-5-16)33(28,29)26-12-14-30-15-13-26/h1-11H,12-15H2,(H-,24,27,31)/p+1