N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]-5-methyl-thiophene-2-carboxamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O6S2/c1-15-3-6-19(31-15)21(26)22-14-20(25)23-7-9-24(10-8-23)32(27,28)16-4-5-17-18(13-16)30-12-2-11-29-17/h3-6,13H,2,7-12,14H2,1H3,(H,22,26)