2-[[2-(azepan-1-yl)phenyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[[2-(azepan-1-yl)phenyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[2-(azepan-1-yl)anilino]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[2-(1-azepanyl)anilino]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[2-(azepan-1-yl)anilino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[2-(azepan-1-yl)anilino]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2N3CCCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2N3CCCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H34N4O4S/c1-20-10-11-21(18-24(20)34(31,32)29-14-16-33-17-15-29)27-25(30)19-26-22-8-4-5-9-23(22)28-12-6-2-3-7-13-28/h4-5,8-11,18,26H,2-3,6-7,12-17,19H2,1H3,(H,27,30)