(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-5-morpholinosulfonyl-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: [2-chloro-5-(4-morpholinylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-5-morpholinosulfonyl-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C24H29ClN3O4S+ MolecularWeight: 491.02276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C24H28ClN3O4S/c25-23-9-8-21(33(30,31)28-15-17-32-18-16-28)19-22(23)24(29)27-13-11-26(12-14-27)10-4-7-20-5-2-1-3-6-20/h1-9,19H,10-18H2/p+1/b7-4+