N-tert-butyl-2-[4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(4-morpholinosulfonylphenyl)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[3-(4-morpholinosulfonylphenyl)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C24H39N4O5S+ MolecularWeight: 495.65526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H38N4O5S/c1-24(2,3)25-22(29)19-26-11-4-12-27(14-13-26)23(30)10-7-20-5-8-21(9-6-20)34(31,32)28-15-17-33-18-16-28/h5-6,8-9H,4,7,10-19H2,1-3H3,(H,25,29)/p+1