3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyclopentylpyrazol-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyclopentylpyrazol-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyclopentylpyrazol-3-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-cyclopentyl-3-pyrazolyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyclopentylpyrazol-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyclopentylpyrazol-3-yl)benzamide Formula: C21H27ClN4O3S MolecularWeight: 450.98208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=NN3C4CCCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=NN3C4CCCC4)Cl

InChI

InChI=1S/C21H27ClN4O3S/c22-18-10-9-16(15-19(18)30(28,29)25-13-5-1-2-6-14-25)21(27)24-20-11-12-23-26(20)17-7-3-4-8-17/h9-12,15,17H,1-8,13-14H2,(H,24,27)