[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(3-methyl-1-piperidyl)methanone CAS Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(3-methylpiperidino)methanone Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H30N2O5S/c1-16-4-2-9-22(15-16)21(24)17-7-10-23(11-8-17)29(25,26)18-5-6-19-20(14-18)28-13-3-12-27-19/h5-6,14,16-17H,2-4,7-13,15H2,1H3