3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25ClN4O3S/c1-13-18(14(2)23(3)22-13)21-19(25)15-8-9-16(20)17(12-15)28(26,27)24-10-6-4-5-7-11-24/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,25)