4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Formula: C18H24N6O5S MolecularWeight: 436.48536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=NN=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H24N6O5S/c1-22-13-20-21-17(22)12-19-18(25)23-5-7-24(8-6-23)30(26,27)14-3-4-15-16(11-14)29-10-2-9-28-15/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,25)