N-phenyl-N-[(4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]cyclopropanecarboxamide

Systemtic Name: N-phenyl-N-[(4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]cyclopropanecarboxamide Openeye Name: N-phenyl-N-[[4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]cyclopropanecarboxamide CAS Name: N-phenyl-N-[(4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]cyclopropanecarboxamide IUPAC Name: N-phenyl-N-[(4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]cyclopropanecarboxamide Traditional Name: N-phenyl-N-[[4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]cyclopropanecarboxamide Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N(CC2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2O4S2/c27-24(19-9-10-19)26(21-5-2-1-3-6-21)16-18-8-11-22-20(15-18)17-25(12-13-30-22)32(28,29)23-7-4-14-31-23/h1-8,11,14-15,19H,9-10,12-13,16-17H2