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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-keto-3,5-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=CC(=C2C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=O)C(=C1)C

Isomeric SMILES

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

InChI

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