1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-thenyl)-1,4-diazepane Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CS4

InChI

InChI=1S/C18H22N2O4S2/c21-26(22,16-4-5-17-18(13-16)24-11-10-23-17)20-7-2-6-19(8-9-20)14-15-3-1-12-25-15/h1,3-5,12-13H,2,6-11,14H2