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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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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=C(C=CC4=O)Cl)NN3

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4S/c23-15-5-10-21(28)18(13-15)19-14-20(26-25-19)22(29)24-16-6-8-17(9-7-16)32(30,31)27-11-3-1-2-4-12-27/h5-10,13-14,25-26H,1-4,11-12H2,(H,24,29)