3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Formula: C21H29ClN4O3S MolecularWeight: 452.99796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H29ClN4O3S/c1-16-14-17(2)26(24-16)13-7-10-23-21(27)18-8-9-19(22)20(15-18)30(28,29)25-11-5-3-4-6-12-25/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,23,27)