N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C19H18BrN5O3S/c20-16-9-2-1-8-15(16)17-21-19(24-23-17)22-18(26)13-6-5-7-14(12-13)29(27,28)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11H2,(H2,21,22,23,24,26)