[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-pyrrolidinosulfonylphenyl)methanone Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3S/c32-28(25-14-9-15-26(22-25)35(33,34)31-16-7-8-17-31)30-20-18-29(19-21-30)27(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-6,9-15,22,27H,7-8,16-21H2/p+1