N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

InChI

InChI=1S/C22H24N4O4S/c27-21-8-4-3-7-18(21)19-15-20(25-24-19)22(28)23-16-9-11-17(12-10-16)31(29,30)26-13-5-1-2-6-14-26/h3-4,7-12,15,24-25H,1-2,5-6,13-14H2,(H,23,28)