N-[(3-methoxyphenyl)methyl]-4-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide Traditional Name: 4-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-N-m-anisyl-butyramide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C22H27N3O5S/c1-30-18-7-2-5-16(13-18)15-23-21(26)9-4-12-24-31(28,29)19-10-11-20-17(14-19)6-3-8-22(27)25-20/h2,5,7,10-11,13-14,24H,3-4,6,8-9,12,15H2,1H3,(H,23,26)(H,25,27)