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

Systemtic Name: 2-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidinosulfonyl-benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23ClN2O5S/c22-18-7-6-16(30(26,27)24-9-2-1-3-10-24)14-17(18)21(25)23-15-5-8-19-20(13-15)29-12-4-11-28-19/h5-8,13-14H,1-4,9-12H2,(H,23,25)