[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholinosulfonylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholinosulfonylphenyl)methanone Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H26N4O4S2/c28-23(18-5-7-19(8-6-18)33(29,30)27-13-15-31-16-14-27)26-11-9-25(10-12-26)17-22-24-20-3-1-2-4-21(20)32-22/h1-8H,9-17H2/p+1