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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane CAS Name: 1-[(4-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane Traditional Name: 1-(4-chlorobenzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN2O4S/c22-18-5-3-17(4-6-18)16-23-9-1-10-24(12-11-23)29(25,26)19-7-8-20-21(15-19)28-14-2-13-27-20/h3-8,15H,1-2,9-14,16H2