2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]carbonyl-4-pyrrolidin-1-ylsulfonyl-phenolate

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]carbonyl-4-pyrrolidin-1-ylsulfonyl-phenolate Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-4-pyrrolidin-1-ylsulfonyl-phenolate CAS Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-oxomethyl]-4-(1-pyrrolidinylsulfonyl)phenolate IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-4-pyrrolidin-1-ylsulfonylphenolate Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-4-pyrrolidinosulfonyl-phenolate Formula: C23H27ClN3O5S- MolecularWeight: 492.99558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])C(=O)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])C(=O)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O5S/c24-18-3-5-19(6-4-18)32-16-15-25-11-13-26(14-12-25)23(29)21-17-20(7-8-22(21)28)33(30,31)27-9-1-2-10-27/h3-8,17,28H,1-2,9-16H2/p-1