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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholinosulfonylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-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(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

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

InChI

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