N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1,3-dimethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H24N4O4S2/c1-14-17(13-20(2)18-14)26(22,23)19-15-7-9-16(10-8-15)27(24,25)21-11-5-3-4-6-12-21/h7-10,13,19H,3-6,11-12H2,1-2H3