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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N4O6S/c1-29-20-16(4-2-7-22-20)15-23-21(26)24-8-10-25(11-9-24)32(27,28)17-5-6-18-19(14-17)31-13-3-12-30-18/h2,4-7,14H,3,8-13,15H2,1H3,(H,23,26)