(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-ylmethyl)acrylamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S2/c27-22(24-17-23-25-20-7-3-4-8-21(20)30-23)14-11-18-9-12-19(13-10-18)31(28,29)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-17H2,(H,24,27)/b14-11+