N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]cyclopropanecarboxamide Openeye Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]cyclopropanecarboxamide CAS Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]cyclopropanecarboxamide IUPAC Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]cyclopropanecarboxamide Traditional Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-keto-propyl]cyclopropanecarboxamide Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCNC(=O)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCNC(=O)C4CC4)OC1

InChI

InChI=1S/C20H27N3O6S/c24-19(6-7-21-20(25)15-2-3-15)22-8-10-23(11-9-22)30(26,27)16-4-5-17-18(14-16)29-13-1-12-28-17/h4-5,14-15H,1-3,6-13H2,(H,21,25)