4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-N-phenylmethoxy-3-sulfanylidene-morpholin-4-ium-4-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-N-phenylmethoxy-3-sulfanylidene-morpholin-4-ium-4-carboxamide Openeye Name: N-benzyloxy-4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-oxo-ethyl]-2,2-dimethyl-3-thioxo-morpholin-4-ium-4-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxy-3-sulfanylidene-4-morpholin-4-iumcarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxy-3-sulfanylidenemorpholin-4-ium-4-carboxamide Traditional Name: N-benzoxy-4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(dimethylamino)-2-keto-ethyl]-2,2-dimethyl-3-thioxo-morpholin-4-ium-4-carboxamide Formula: C28H34N3O7S2+ MolecularWeight: 588.71546

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)[N+]2(CC(OC(C2=S)(C)C)CC(=O)N(C)C)C(=O)NOCC3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)[N+]2(CC(OC(C2=S)(C)C)CC(=O)N(C)C)C(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O7S2/c1-6-7-17-36-22-13-15-24(16-14-22)40(34,35)31(27(33)29-37-20-21-11-9-8-10-12-21)19-23(18-25(32)30(4)5)38-28(2,3)26(31)39/h8-16,23H,17-20H2,1-5H3/p+1