3,5-bis(chloranyl)-N-(1-methylsulfonyl-3-oxidanylidene-1,2-diazepan-4-yl)-4-prop-2-enoxy-benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-(1-methylsulfonyl-3-oxidanylidene-1,2-diazepan-4-yl)-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-3,5-dichloro-N-(1-methylsulfonyl-3-oxo-diazepan-4-yl)benzamide CAS Name: 3,5-dichloro-N-(1-methylsulfonyl-3-oxo-4-diazepanyl)-4-prop-2-enoxybenzamide IUPAC Name: 3,5-dichloro-N-(1-methylsulfonyl-3-oxodiazepan-4-yl)-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-3,5-dichloro-N-(3-keto-1-mesyl-diazepan-4-yl)benzamide Formula: C16H19Cl2N3O5S MolecularWeight: 436.31016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C(=O)N1)NC(=O)C2=CC(=C(C(=C2)Cl)OCC=C)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC(C(=O)N1)NC(=O)C2=CC(=C(C(=C2)Cl)OCC=C)Cl

InChI

InChI=1S/C16H19Cl2N3O5S/c1-3-7-26-14-11(17)8-10(9-12(14)18)15(22)19-13-5-4-6-21(20-16(13)23)27(2,24)25/h3,8-9,13H,1,4-7H2,2H3,(H,19,22)(H,20,23)