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

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3-chlorobenzyl)pyrazol-3-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c22-18-7-3-5-16(13-18)15-26-20(9-10-23-26)24-21(27)17-6-4-8-19(14-17)30(28,29)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12,15H2,(H,24,27)