3-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenylmethoxy-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenylmethoxy-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzyloxy-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-phenylmethoxypropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenylmethoxypropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzoxy-propionamide 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)CCC(=O)NOCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NOCC3=CC=CC=C3

InChI

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