3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-morpholin-4-ylcarbonylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-morpholin-4-ylcarbonylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[2-[4-morpholinyl(oxo)methyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O5S/c1-19-10-11-20(18-23(19)34(31,32)28-12-6-2-3-7-13-28)24(29)26-22-9-5-4-8-21(22)25(30)27-14-16-33-17-15-27/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,26,29)