N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-chloro-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-1-ethyl-pyrazole-3-carboxamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H23ClN4O3S/c1-2-22-13-16(19)17(21-22)18(24)20-14-7-9-15(10-8-14)27(25,26)23-11-5-3-4-6-12-23/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)