N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-phenoxybutanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phenoxybutanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c25-22(14-9-17-28-20-11-4-3-5-12-20)23-19-10-8-13-21(18-19)29(26,27)24-15-6-1-2-7-16-24/h3-5,8,10-13,18H,1-2,6-7,9,14-17H2,(H,23,25)