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

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H19BrN4O3S2 MolecularWeight: 495.41316

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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(=CS4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C19H19BrN4O3S2/c20-15-11-16(28-13-15)12-24-18(6-7-21-24)22-19(25)14-4-3-5-17(10-14)29(26,27)23-8-1-2-9-23/h3-7,10-11,13H,1-2,8-9,12H2,(H,22,25)