N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O5S/c1-23-12-13-29-19-9-6-16(14-18(19)21(23)26)22-20(25)15-4-7-17(8-5-15)30(27,28)24-10-2-3-11-24/h4-9,14H,2-3,10-13H2,1H3,(H,22,25)