N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21ClN4O4S2/c1-14-4-5-15(12-18(14)32(28,29)26-10-2-3-11-26)20(27)23-21-25-24-19(31-21)13-30-17-8-6-16(22)7-9-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,25,27)