N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H22N2O5S2/c22-19(14-4-6-16-17(12-14)26-11-3-10-25-16)20-13-15-5-7-18(27-15)28(23,24)21-8-1-2-9-21/h4-7,12H,1-3,8-11,13H2,(H,20,22)