(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C28H31ClN3O3S+ MolecularWeight: 525.08204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H30ClN3O3S/c29-25-14-13-24(21-26(25)36(34,35)32-15-7-8-16-32)28(33)31-19-17-30(18-20-31)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,27H,7-8,15-20H2/p+1