2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-methylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-methylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-methyl-1-piperidyl)-5-oxo-pentyl]guanidine CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-methyl-1-piperidinyl)-5-oxopentyl]guanidine IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-methylpiperidin-1-yl)-5-oxopentyl]guanidine Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-keto-5-(4-methylpiperidino)pentyl]guanidine Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H33N5O5S/c1-15-7-10-26(11-8-15)20(27)17(4-2-9-24-21(22)23)25-32(28,29)16-5-6-18-19(14-16)31-13-3-12-30-18/h5-6,14-15,17,25H,2-4,7-13H2,1H3,(H4,22,23,24)