N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C22H23N3O5S2/c1-29-19-10-7-16(13-20(19)30-2)18-14-31-22(23-18)24-21(26)15-5-8-17(9-6-15)32(27,28)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,26)