(2-azanyl-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-amino-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-amino-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (2-amino-1,3-benzothiazol-6-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=C(S5)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=C(S5)N)OC1

InChI

InChI=1S/C21H22N4O5S2/c22-21-23-16-4-2-14(12-19(16)31-21)20(26)24-6-8-25(9-7-24)32(27,28)15-3-5-17-18(13-15)30-11-1-10-29-17/h2-5,12-13H,1,6-11H2,(H2,22,23)