(E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzoxazol-2-yl)acrylamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4S/c26-21(12-13-22-24-19-10-3-4-11-20(19)29-22)23-17-8-7-9-18(16-17)30(27,28)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,23,26)/b13-12+