N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-ethyl-3-methyl-4-pyrazolesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-3-methyl-pyrazole-4-sulfonamide Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S2/c1-3-21-14-18(15(2)19-21)27(23,24)20-16-8-10-17(11-9-16)28(25,26)22-12-6-4-5-7-13-22/h8-11,14,20H,3-7,12-13H2,1-2H3