[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C24H29N4O3S2+ MolecularWeight: 485.64206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4O3S2/c1-18-8-9-19(33(30,31)28-10-4-5-11-28)16-20(18)24(29)27-14-12-26(13-15-27)17-23-25-21-6-2-3-7-22(21)32-23/h2-3,6-9,16H,4-5,10-15,17H2,1H3/p+1