1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methylbenzyl)-1,4-diazepane Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O4S/c1-17-5-2-3-6-18(17)16-22-9-4-10-23(12-11-22)28(24,25)19-7-8-20-21(15-19)27-14-13-26-20/h2-3,5-8,15H,4,9-14,16H2,1H3