4-[1-ethyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C26H35N5O3S MolecularWeight: 497.6528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H35N5O3S/c1-2-31-25-10-9-23(35(32,33)30-15-17-34-18-16-30)19-24(25)27-26(31)21-29-12-6-11-28(13-14-29)20-22-7-4-3-5-8-22/h3-5,7-10,19H,2,6,11-18,20-21H2,1H3