N-[4-(azepan-1-ylsulfonyl)phenyl]-3-propoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-propoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-propoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-propoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-propoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-propoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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