2-chloranyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H22ClN5O3S/c1-2-26-14-23-25-20(26)15-6-5-7-16(12-15)24-21(28)18-13-17(8-9-19(18)22)31(29,30)27-10-3-4-11-27/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,28)