(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethylbenzimidazol-2-yl)propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethylbenzimidazol-2-yl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethylbenzimidazol-2-yl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethyl-2-benzimidazolyl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethylbenzimidazol-2-yl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-ethylbenzimidazol-2-yl)propionamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1NC(=O)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1NC(=O)[C@H](C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N4O5S/c1-3-25-17-8-5-4-7-16(17)22-21(25)23-20(26)14(2)24-31(27,28)15-9-10-18-19(13-15)30-12-6-11-29-18/h4-5,7-10,13-14,24H,3,6,11-12H2,1-2H3,(H,22,23,26)/t14-/m0/s1