N-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-2-piperazin-1-yl-naphthalene-1-sulfonamide

Systemtic Name: N-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-2-piperazin-1-yl-naphthalene-1-sulfonamide Openeye Name: N-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-2-piperazin-1-yl-naphthalene-1-sulfonamide CAS Name: N-[3-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-2-(1-piperazinyl)-1-naphthalenesulfonamide IUPAC Name: N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-piperazin-1-ylnaphthalene-1-sulfonamide Traditional Name: N-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-2-piperazino-naphthalene-1-sulfonamide Formula: C24H24BrN5O2S MolecularWeight: 526.44866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC4=CC=CC=C43)N5CCNCC5)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC4=CC=CC=C43)N5CCNCC5)Br

InChI

InChI=1S/C24H24BrN5O2S/c1-29-16-21(25)23(27-29)18-6-4-7-19(15-18)28-33(31,32)24-20-8-3-2-5-17(20)9-10-22(24)30-13-11-26-12-14-30/h2-10,15-16,26,28H,11-14H2,1H3