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

Systemtic Name: (E)-N-[2-(azepan-1-yl)phenyl]-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-[2-(azepan-1-yl)phenyl]-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-N-[2-(1-azepanyl)phenyl]-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-[2-(azepan-1-yl)phenyl]-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(azepan-1-yl)phenyl]-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2N3CCCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2N3CCCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H33N3O5S/c1-33-24-12-10-21(20-25(24)35(31,32)29-16-18-34-19-17-29)11-13-26(30)27-22-8-4-5-9-23(22)28-14-6-2-3-7-15-28/h4-5,8-13,20H,2-3,6-7,14-19H2,1H3,(H,27,30)/b13-11+