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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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