N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3-morpholinosulfonyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-bromo-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3-morpholinosulfonyl-benzamide Formula: C23H28BrN3O6S2 MolecularWeight: 586.51892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28BrN3O6S2/c24-21-9-8-18(16-22(21)35(31,32)27-12-14-33-15-13-27)23(28)25-19-6-5-7-20(17-19)34(29,30)26-10-3-1-2-4-11-26/h5-9,16-17H,1-4,10-15H2,(H,25,28)