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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-piperidinosulfonylphenyl)methanone Formula: C24H29N4O3S2+ MolecularWeight: 485.64206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4O3S2/c29-24(19-7-6-8-20(17-19)33(30,31)28-11-4-1-5-12-28)27-15-13-26(14-16-27)18-23-25-21-9-2-3-10-22(21)32-23/h2-3,6-10,17H,1,4-5,11-16,18H2/p+1