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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4,5-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-keto-4,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C2C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C=C1)C

Isomeric SMILES

CC1=C(C(=O)C(=C2C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C=C1)C

InChI

InChI=1S/C24H28N4O4S/c1-16-7-12-20(23(29)17(16)2)21-15-22(27-26-21)24(30)25-18-8-10-19(11-9-18)33(31,32)28-13-5-3-4-6-14-28/h7-12,15,26-27H,3-6,13-14H2,1-2H3,(H,25,30)