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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-16-6-9-18(14-20(16)31(28,29)25-12-4-2-3-5-13-25)24-22(27)17-7-10-19(11-8-17)30-15-21(23)26/h6-11,14H,2-5,12-13,15H2,1H3,(H2,23,26)(H,24,27)