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

Systemtic Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(2-propan-2-yliminopyridin-1-yl)methanone Openeye Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(2-isopropylimino-1-pyridyl)methanone CAS Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-(2-propan-2-ylimino-1-pyridinyl)methanone IUPAC Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(2-propan-2-yliminopyridin-1-yl)methanone Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(2-isopropylimino-1-pyridyl)methanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC=CN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N=C1C=CC=CN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O5S/c1-17(2)24-22-6-3-4-11-26(22)23(27)18-9-12-25(13-10-18)32(28,29)19-7-8-20-21(16-19)31-15-5-14-30-20/h3-4,6-8,11,16-18H,5,9-10,12-15H2,1-2H3