N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-phenoxybutanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenoxybutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-2-21(28-19-10-6-5-7-11-19)22(25)23-18-12-14-20(15-13-18)29(26,27)24-16-8-3-4-9-17-24/h5-7,10-15,21H,2-4,8-9,16-17H2,1H3,(H,23,25)