(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furyl)-2-phenyl-prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-furanyl)-2-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furyl)-2-phenyl-acrylamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=CO3)/C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c28-25(24(19-22-11-8-18-31-22)20-9-4-3-5-10-20)26-21-12-14-23(15-13-21)32(29,30)27-16-6-1-2-7-17-27/h3-5,8-15,18-19H,1-2,6-7,16-17H2,(H,26,28)/b24-19+