N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H30N4O5S/c1-28-21-8-7-19(35(31,32)29-12-3-2-4-13-29)17-20(21)27-24(28)10-11-25(30)26-18-6-9-22-23(16-18)34-15-5-14-33-22/h6-9,16-17H,2-5,10-15H2,1H3,(H,26,30)