4-[2-[4-(azepan-1-ylsulfonyl)phenyl]hydrazinyl]-5-methyl-pyrazol-3-one

Systemtic Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]hydrazinyl]-5-methyl-pyrazol-3-one Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]hydrazino]-5-methyl-pyrazol-3-one CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]hydrazo]-5-methyl-3-pyrazolone IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]hydrazinyl]-5-methylpyrazol-3-one Traditional Name: 4-[N'-[4-(azepan-1-ylsulfonyl)phenyl]hydrazino]-5-methyl-pyrazol-3-one Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N5O3S/c1-12-15(16(22)20-17-12)19-18-13-6-8-14(9-7-13)25(23,24)21-10-4-2-3-5-11-21/h6-9,18H,2-5,10-11H2,1H3,(H,19,20,22)