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

Systemtic Name: 4-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]acetyl]amino]benzamide CAS Name: 4-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]acetyl]amino]benzamide Traditional Name: 4-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]acetyl]amino]benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O4S/c1-16-6-9-19(14-20(16)31(29,30)26-12-4-2-3-5-13-26)24-15-21(27)25-18-10-7-17(8-11-18)22(23)28/h6-11,14,24H,2-5,12-13,15H2,1H3,(H2,23,28)(H,25,27)