(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C23H29ClN3O4S+ MolecularWeight: 479.01206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H28ClN3O4S/c24-22-9-8-20(32(29,30)27-10-4-5-11-27)18-21(22)23(28)26-14-12-25(13-15-26)16-17-31-19-6-2-1-3-7-19/h1-3,6-9,18H,4-5,10-17H2/p+1