(E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-28-21-13-12-19(29(26,27)24-15-7-2-3-8-16-24)17-20(21)23-22(25)14-11-18-9-5-4-6-10-18/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,23,25)/b14-11+