N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O3S/c22-18-8-6-16(7-9-18)15-26-20(10-11-23-26)24-21(27)17-4-3-5-19(14-17)30(28,29)25-12-1-2-13-25/h3-11,14H,1-2,12-13,15H2,(H,24,27)