N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)propionamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O4S/c26-21(13-14-22-24-19-7-3-4-8-20(19)29-22)23-17-9-11-18(12-10-17)30(27,28)25-15-5-1-2-6-16-25/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,26)