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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-phenoxy-butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-phenoxybutanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-phenoxybutanamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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