(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone CAS Name: (5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Traditional Name: (4-benzylpiperidino)-(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4S/c1-30(27,28)25-16-13-22(29-21-10-6-5-9-20(21)25)23(26)24-14-11-19(12-15-24)17-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3