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

Systemtic Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N5O3S/c1-14-7-9-15(10-8-14)18-21-20(24-23-18)22-19(26)16-5-4-6-17(13-16)29(27,28)25-11-2-3-12-25/h4-10,13H,2-3,11-12H2,1H3,(H2,21,22,23,24,26)