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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-isopropylsulfonyl-benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-isopropylsulfonyl-benzamide Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO5S/c1-12(2)27(23,24)14-6-4-13(5-7-14)19(22)21-16-11-18-17(10-15(16)20)25-8-3-9-26-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,22)