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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-16-6-11-22(28)19(14-16)20-15-21(26-25-20)23(29)24-17-7-9-18(10-8-17)32(30,31)27-12-4-2-3-5-13-27/h6-11,14-15,25-26H,2-5,12-13H2,1H3,(H,24,29)