9-piperidin-1-yl-8-pyrrolidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-piperidin-1-yl-8-pyrrolidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-(1-piperidyl)-8-pyrrolidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-(1-piperidinyl)-8-(1-pyrrolidinylsulfonyl)-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-piperidin-1-yl-8-pyrrolidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-piperidino-8-pyrrolidinosulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)OC4=CC=CC=C4NC3=O)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)OC4=CC=CC=C4NC3=O)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H25N3O4S/c26-22-16-14-21(30(27,28)25-12-6-7-13-25)18(24-10-4-1-5-11-24)15-20(16)29-19-9-3-2-8-17(19)23-22/h2-3,8-9,14-15H,1,4-7,10-13H2,(H,23,26)