3-(azepan-1-ylsulfonyl)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methoxy-benzamide Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27ClN2O6S/c1-30-19-8-7-16(13-22(19)33(28,29)26-9-4-2-3-5-10-26)23(27)25-18-15-21-20(14-17(18)24)31-11-6-12-32-21/h7-8,13-15H,2-6,9-12H2,1H3,(H,25,27)