2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(2,6-dimethylmorpholin-4-yl)ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-1-(2,6-dimethyl-4-morpholinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(2,6-dimethylmorpholin-4-yl)ethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(2,6-dimethylmorpholino)ethanone Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O5S/c1-16-14-23(15-17(2)29-16)21(25)13-22-19-12-18(8-9-20(19)28-3)30(26,27)24-10-6-4-5-7-11-24/h8-9,12,16-17,22H,4-7,10-11,13-15H2,1-3H3