N-[4-(azepan-1-ylsulfonyl)phenyl]-4-heptoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-heptoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-heptoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-heptoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-heptoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-heptoxy-benzamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H36N2O4S/c1-2-3-4-7-10-21-32-24-15-11-22(12-16-24)26(29)27-23-13-17-25(18-14-23)33(30,31)28-19-8-5-6-9-20-28/h11-18H,2-10,19-21H2,1H3,(H,27,29)