N-[6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]furan-2-carboxamide CAS Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-furancarboxamide IUPAC Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Traditional Name: N-[6-(4-besyl-1,4-diazepan-1-yl)-3-pyridyl]-2-furamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N4O4S/c26-21(19-8-4-15-29-19)23-17-9-10-20(22-16-17)24-11-5-12-25(14-13-24)30(27,28)18-6-2-1-3-7-18/h1-4,6-10,15-16H,5,11-14H2,(H,23,26)