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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-ethoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethoxy-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-19-9-7-8-17(16-19)21(24)22-18-10-12-20(13-11-18)28(25,26)23-14-5-3-4-6-15-23/h7-13,16H,2-6,14-15H2,1H3,(H,22,24)