2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethoxy]benzamide Traditional Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethoxy]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-16-10-11-17(14-20(16)31(28,29)25-12-6-2-3-7-13-25)24-21(26)15-30-19-9-5-4-8-18(19)22(23)27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,23,27)(H,24,26)