5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

InChI=1S/C24H29N3O5S/c1-3-14-25-23(28)19-10-6-7-11-21(19)26-24(29)20-17-18(12-13-22(20)32-2)33(30,31)27-15-8-4-5-9-16-27/h3,6-7,10-13,17H,1,4-5,8-9,14-16H2,2H3,(H,25,28)(H,26,29)