1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-methylbenzyl)-1,4-diazepane Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H28N2O4S/c1-18-6-2-3-7-19(18)17-23-10-4-11-24(13-12-23)29(25,26)20-8-9-21-22(16-20)28-15-5-14-27-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3