N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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