(3-phenyl-5-thiomorpholin-4-ylsulfonyl-phenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-phenyl-5-thiomorpholin-4-ylsulfonyl-phenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-(3-phenyl-5-thiomorpholinosulfonyl-phenyl)methanone CAS Name: (3-phenyl-5-thiomorpholin-4-ylsulfonylphenyl)-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-phenyl-5-thiomorpholin-4-ylsulfonylphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-(3-phenyl-5-thiomorpholinosulfonyl-phenyl)methanone Formula: C24H32N3O3S2+ MolecularWeight: 474.65918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CCSCC4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CCSCC4

InChI

InChI=1S/C24H31N3O3S2/c1-19(2)25-8-10-26(11-9-25)24(28)22-16-21(20-6-4-3-5-7-20)17-23(18-22)32(29,30)27-12-14-31-15-13-27/h3-7,16-19H,8-15H2,1-2H3/p+1