N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,2-benzoxazol-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,2-benzoxazol-3-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,2-benzoxazol-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-indoxazen-3-yl-acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O4S/c1-16-10-11-17(14-21(16)30(27,28)25-12-6-2-3-7-13-25)23-22(26)15-19-18-8-4-5-9-20(18)29-24-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)