6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(1-azepanylsulfonyl)-2-methoxyanilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC=C3C=CC=CC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C20H24N2O4S/c1-26-20-11-10-17(27(24,25)22-12-6-2-3-7-13-22)14-18(20)21-15-16-8-4-5-9-19(16)23/h4-5,8-11,14-15,21H,2-3,6-7,12-13H2,1H3