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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-propoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-2-17-28-20-11-7-18(8-12-20)22(25)23-19-9-13-21(14-10-19)29(26,27)24-15-5-3-4-6-16-24/h7-14H,2-6,15-17H2,1H3,(H,23,25)