N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-methyl-but-2-enamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-methyl-but-2-enamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-methyl-but-2-enamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-methyl-2-butenamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-methyl-but-2-enamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)C

InChI

InChI=1S/C21H31N3O4S/c1-17(2)15-21(25)22-19-16-18(29(26,27)24-11-13-28-14-12-24)7-8-20(19)23-9-5-3-4-6-10-23/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,22,25)