2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N(C)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N(C)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H29N3O5S2/c1-4-31-19-12-11-17(15-21(19)33(29,30)26-13-7-8-14-26)24-23(28)18-9-5-6-10-20(18)32-16-22(27)25(2)3/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,24,28)